Welcome to Our Lab
Novel Functional Materials Group (NFMG)
Our group is interested in the novel multi-functional materials, exploring the design principles and synthesis of novel functional materials. There is a strong focus on design, synthesis and application of superhard, superconducting and energy-related materials, and material characterizations using the state-of-art high-pressure techniques.
The goal of our research is to provide the fundamental understanding of these functional materials. We are designing novel functional materials with controlled composition, structure, and properties based on DFT. We synthesize and characterize these novel materials at ambient and extreme conditions and understand structure-property relationships in the development of multifunctional materials for potential applications in technological, electronics, optoelectronics, energy conversion and storage materials and devices.
PI |
Dr. Huiyang Gou 缑慧阳 STAFF SCIENTIST Center for High Pressure Science and Technology Advanced Research No.10 Xibeiwang East Rd. Haidian, Beijing 100094, China Tel.: +86 010-56981749 E-Mail: huiyang.gou@hpstar.ac.cn; huiyang.gou@gmail.com RESEARCH INTERESTS Novel functional materials under high pressure High pressure materials/physics/chemistry Computational materials science RESEARCH EXPERIENCE Oct.2015- Staff Scientist Center for High Pressure Science and Technology Advanced Research (HPSTAR), Beijing, China 2013– 2015,Postdoc Associate,Carnegie Institution of Washington, USA 2011– 2013,Alexander von Humboldt Postdoc fellowship, University Bayreuth,Germany 2009– 2011,Postdoc Associate, Rensselaer Polytechnic Institute, USA EDUCATION 2002– 2009,Ph D, Yanshan University 1996– 2000,Yanshan University HONORS & AWARDS Alexander von Humboldt Postdoc fellowship, 2011 |
Engineer |
Bingmin Yan 颜丙敏 Engineer | Ph.D. from Jilin University 吉林大学 | bingmin.yan@hpstar.ac.cn |
Postdocs |
Bo Gao 高波 | bo.gao@hpstar.ac.cn | ||
Hu Tang 唐虎 Materials Science | Ph.D. from Yanshan University 燕山大学 | hu.tang@hpstar.ac.cn |
Ph.D. Students |
Zhen Chen 陈真 Materials Science | M.S. from Chongqing University 重庆大学 | zhen.chen@hpstar.ac.cn | |
Shijing Zhao 赵仕敬 Materials Science | M.S. from Zhengzhou University 郑州大学 | shijing.zhao@hpstar.ac.cn | |
Wenfeng Peng 彭文峰 Materials Science | M.S. from Zhengzhou University 郑州大学 | wenfeng.peng@hpstar.ac.cn | |
Dajiian Huang 黄大建 Materials Science | B.S. from Xi'an Jiaotong University 西安交通大学 | dajian.huang@hpstar.ac.cn |
Master Students |
Qin Qin 秦琴 Materials Science | B.S. from University of Science & Technology Beijing 北京科技大学 | qin.qin@hpstar.ac.cn | |
Wenbo Cheng 成文博 Applied Chemistry | B.S. from Yanshan University 燕山大学 | wenbo.cheng@hpstar.ac.cn |
Visitors |
Xiaohong Yuan 袁晓红 Materials Science | Ph.D. from Yanshan University 燕山大学 | xiaohong.yuan@hpstar.ac.cn | |
Alumni |
Biao Wan 万彪 Applied physics | Joint Ph.D. candidate from Yanshan University 燕山大学 | biao.wan@hpstar.ac.cn | |
Cong Zhou 周丛 Fundamental physics | Intern student from Nankai University 南开大学 | 1543134727@qq.com |
Last update Sept. 6, 2017.
Research Scope
★ Novel functional materials under high pressure
★ High pressure materials/physics/chemistry
★ Computational materials science
Research Highlights
Our paper on a new graphitic carbon nitride solid made in DAC published in Chem. Mater.
Gou H, Zhu L I, Huang H T, et al. From Linear Molecular Chains to Extended Polycyclic Networks: Polymerization of Dicyanoacetylene[J].Chemistry of Materials. 2017,29(16):6706-6718.
July 26 2017
Our paper on LTO composite electrode material published in Nano energy.
Wang G, Lu C, Zhang X, et al. Toward ultrafast lithium ion capacitors: A novel atomic layer deposition seeded preparation of Li 4 Ti 5 O 12/graphene anode[J].Nano Energy, 2017, 36: 46-57.
Apr 14 2017
Our paper on beryllium hexaboride published in J Phys. Chem. Lett.
Wu L, Wan B, Liu H, et al. Coexistence of Superconductivity and Superhardness in Beryllium Hexaboride Driven by Inherent Multicenter Bonding.[J].Journal of physical chemistry letters, 2016, 7(23): 4898-4904.
21 Nov 2016
Our paper on novel transition-metal (M =Co, Rh, and Ir) borides published in Phys. Rev. B.
Wang Y, Wu L, Lin Y, et al. Structures and stability of novel transition metal (M= Co, Rh, Co and Ir) borides[J]. Physical Review B, 2015, 92(17): 174106.
16 Nov 2015
NFM Group Selected publications
2019 ▕ 2018 ▕ 2017 ▕ 2016 ▕ 2015 ▕ 2014 ▕ Earlier
(71) Qianqian Wang*, Huiyang Gou (缑慧阳) , Li Zhu, Haw-Tyng Huang, Arani Biswas, Brian L. Chaloux, Albert Epshteyn, James P. Yesinowski, Zhenxian Liu, George Cody, Mengdong Ma, Zhisheng Zhao, John V. Badding, Yingwei Fei, Clemens Prescher, Eran Greenberg, Vitali Prakapenka and Timothy A. Strobel* Modifying Amorphous Carbon Nitride through Extreme Phosphorous Substitution, ACS Mater. Lett., submit (2019).
(70) Ning Gong, Chunxing Deng, Lailei Wu*, Biao Wan, Zhibin Wang, Zhiping Li, Huiyang Gou (缑慧阳)*, Faming Gao, Predicted semiconducting beryllium sulfides in 3D and 2D configurations: Insights from first-principles calculations, J. Alloys and Compd., 781, 371-377 (2019).
(69) Chong Peng, Xiang Gao, Mingzhi Wang*, Lailei Wu, Hu Tang, Xiaomin Li, Qian Zhang, Yang Ren, Fuxiang Zhang, Yuhui Wang, Bing Zhang, Bo Gao, Qin Zou, Yucheng Zhao, Qian Yang, Dongxia Tian, Hong Xiao, Huiyang Gou (缑慧阳)*, Wenge Yang, Xuedong Bai, Wendy L Mao, Ho-kwang Mao, Diffusion-controlled alloying of single-phase multi-principal transition metal carbides with high toughness and low thermal diffusivity, Appl. Phys. Lett., 114 (1), 011905 (2019).
(68) Junshuang Zhou, Li Hou, Jie Lian, Wenbo Cheng, Dong Wang, Huiyang Gou (缑慧阳), Faming Gao*,Nitrogen-doped highly dense but porous carbon microspheres with ultrahigh volumetric capacitance and rate capability for supercapacitors, J. Mater. Chem. A. 7, 476-485 (2019).
(67) Lailei Wu, Ruifeng Tian, Biao Wan, Hanyu Liu, Ning Gong, Peng Chen, Tongde Shen, Yansun Yao*, Huiyang Gou (缑慧阳)*, Faming Gao, Prediction of Stable Iron Nitrides at Ambient and High Pressures with Progressive Formation of New Polynitrogen Species, Chem. Mater., 30 (23), 8476-8485 (2018).
(66) SH Zhang, X Zheng, QQ Jin, SJ Zheng, Dominik Legut, XH Yu, HY Gou (缑慧阳), ZH Fu, YQ Guo, BM Yan, C Peng, CQ Jin, TC Germann, RF Zhang, Unprecedented plastic flow channel in γ-B28 through ultrasoft bonds: A challenge to superhardness, Physical Review Materials,2 (12), 123602 (2018).
(65) Biao Wan, Yangfan Lu, Zewen Xiao, Yoshinori Muraba, Junghwan Kim, Dajian Huang, Lailei Wu, Huiyang Gou (缑慧阳)*, Jingwu Zhang, Faming Gao, Ho-kwang Mao, Hideo Hosono*, Identifying quasi-2D and 1D electrides in yttrium and scandium chlorides via geometrical identification, npj Computational Materials, 4 (1), 77 (2018).
(64) Hu Tang, Biao Wan, Bo Gao, Yoshinori Muraba, Qin Qin, Bingmin Yan, Peng Chen, Qingyang Hu, Dongzhou Zhang, Lailei Wu, Mingzhi Wang, Hong Xiao, Huiyang Gou (缑慧阳)*, Faming Gao, Ho‐kwang Mao, Hideo Hosono*, Metal‐to‐Semiconductor Transition and Electronic Dimensionality Reduction of Ca2N Electride under Pressure, Advanced Science, 1800666 (2018).
(63) Junshuang Zhou, Li Hou, Sunrui Luan, Jinlong Zhu, Huiyang Gou (缑慧阳), Dong Wang, Faming Gao*, Nitrogen Codoped Unique Carbon with 0.4 nm Ultra‐Micropores for Ultrahigh Areal Capacitance Supercapacitors, Small, 14 (36), 1801897 (2018).
(62) Ning Gong, Chunxing Deng, Lailei Wu*, Biao Wan, Zhibin Wang, Zhiping Li, Huiyang Gou (缑慧阳)*, Faming Gao, Structural Diversity and Electronic Properties of 3d Transition Metal Tetraphosphides, TMP4 (TM = V, Cr, Mn, and Fe), Inorg. Chem., 57 (15), pp 9385–9392 (2018).
(61) Junshuang Zhou, Li Hou, Jie Lian, Wenbo Cheng, Dong Wang, Huiyang Gou (缑慧阳), Faming Gao*, Nitrogen-doped highly dense but porous carbon microspheres with ultrahigh volumetric capacitance and rate capability for supercapacitors, J. Mater. Chem. A, Advance Article (2018).
(60) Yichun Wang, Xin Zhang, Peixun Xiong, Fuxing Yin, Yunhua Xu, Biao Wan, Qingzhou Wang, Gongkai Wang*, JI Puguang*, Huiyang Gou (缑慧阳)*, Insights on the intercalation mechanism of WSe2 onions toward metal ion capacitors: Sodium rivals Lithium, J. Mater. Chem. A, 6, 21605-21617 (2018).
(59) Hu Tang, Xiaohong Yuan, Pengfei Yu, Qingyang Hu, Mingzhi Wang*, Yansun Yao*, Lailei Wu, Qin Zou*, Yujiao Ke, Yucheng Zhao, Lei Wang, Xiaopu Li, Wenge Yang, Huiyang Gou (缑慧阳)*, Ho-kwang Mao, Wendy L. Mao. Revealing the formation mechanism of ultrahard nanotwinned diamond from onion carbon, Carbon, 129: 159-167 (2018).
(58) Derek W. Keefer, Huiyang Gou (缑慧阳), Qianqian Wang, Andrew Purdy, Albert Epshteyn, Stephen J. Juhl, George D. Cody, John Badding, and Timothy A. Strobel. Tetracyanomethane under Pressure: Extended CN Polymers from Precursors with Built-in sp3 Centers, J. Phys. Chem. A. 122 (11): 2858–2863 (2018).
(57) Adebayo A Adeleke, Michael J Greschner, Arnab Majumdar, Biao Wan, Hanyu Liu, Zhiping Li, Huiyang Gou (缑慧阳)*, Yansun Yao*. Single-bonded allotrope of nitrogen predicted at high pressure. Physical Review B. 96 (22): 224104 (2017).
(56) Yunkun Zhang, Biao Wan, Lailei Wu*, Zhiping Li, Zhibin Wang, Jingwu Zhang, Huiyang Gou (缑慧阳)*, Faming Gao, Revealing phase relations between Fe2B7 and FeB4 and hypothetical Fe2B7-type Ru2B7 and Os2B7: first-principles calculations, RSC Advances, 7 (71), 44860-44866 (2017).
(54) Gou, H. Y (缑慧阳)*, Li Zhu, Haw Tyng Huang, Arani Biswas, Derek W. Keefer, Brian L Chaloux, Clemens Prescher, Liuxiang Yang , Duck Young Kim, Matthew D Ward, Jordan Lerach, Shengnan Wang, Artem R Oganov, Albert Epshteyn, John V Badding, and Timothy A. Strobel*. From Linear Molecular Chains to Extended Polycyclic Networks: Polymerization of Dicyanoacetylene. Chem. Mater. 29 (16): 6706-6718 (2017).
(53) Ci Wang, Jie Sun, Gou,H.Y. (缑慧阳),Shanpeng Wang, Jian Zhang*, and Xutang Tao*, Intrinsic defects and their effects on the optical properties in the nonlinear optical crastal CdSiP2: a first principles study, Phys. Chem. Chem. Phys., 19 (14): 9558-9565 (2017).
(52) Gongkai Wang*, Chengxing Lu, Xin Zhang, Biao Wan, Hanyu Liu, Meirong Xia, Huiyang Gou (缑慧阳)*, Guoqing Xin, Jie Lian*, and Yongguang Zhang, Toward Ultrafast Lithium Ion Capacitors: a Novel Atomic Layer Deposition Seeded Preparation of Li4Ti5O12/Graphene Anode, Nano energy, 36. 46-57 (2017).
(51) Y Zhao, J Yu*, L Wu*, B Wan, Y Zhang, R Gao, JZhang, Gou,H.Y. (缑慧阳), Mechanical properties and electronic structures of diverse Pt-Al intermetallics: First-principles calculations, Computational Materials Science, 124, 273-281 (2016).
(50) L.Wu, B Wan, H Liu, Gou,H.Y. (缑慧阳)*, Y Yao,* Z Li, J Zhang, F Gao, Mao, H.K., Coexistence of Superconductivity and Superhardness in Beryllium Hexaboride Driven by Inherent Multicenter Bonding, J. Phys. Chem.Lett., 7 (23), pp 4898–4904 (2016).
(49) Derek William Keefer*, Gou, H. Y. (缑慧阳) , Andrew P Purdy, Albert Epshteyn, Duck Young Kim, John VBadding, Timothy A Strobel*,Pressure-Induced Polymerization of LiN(CN)2, The Journal of Physical Chemistry A. 120 (47), pp 9370–9377 (2016).
(48) Wang, J., Guo, W., Sun, H., Li, H., Gou, H. Y. (缑慧阳), Zhang, J.*, Plastic deformation behaviors and hardening mechanism of M7C3 carbide, Mater.Sci. and Engineering: A., 662, 88 (2016).
(47) Yonggang Wang*, Ligang Bai, Ting Wen,Liuxiang Yang,Gou,H.Y. (缑慧阳), Yuming Xiao, Paul Chow, Michael Pravica, Wenge Yang*, Yusheng Zhao*, Giant Pressure-Driven Lattice Collapse Coupled with Intermetallic Bonding and Spin-State Transition in Manganese Chalcogenides, Angew. Chem. Int. Ed. 55, 10350–10353 (2016).
(46) Wan, B., Xiao, F., Zhang, Y., Zhao, Y., Wu, L.*, Zhang, J., Gou, H. Y. (缑慧阳)*, Theoretical study of structural characteristics, mechanical properties andelectronic structure of metal (TM= V, Nb and Ta) silicides, J. Alloys and Compd. 681, 412 (2016).
(45) Ovsyannikov, S. V., *Bykov, M., Bykova, E., Kozlenko, D. P.,Tsirlin, A. A., Karkin, A. E., Shchennikov, V. V.,Kichanov, S. E. Gou, H. Y. (缑慧阳), Abakumov, A. M.,Egoavil, R., Verbeeck, J., McCammon, M., Vadim Dyadkin,V., Chernyshov, D.,Smaalen, S. V., Leonid S. Dubrovinsky, L. S., Charge-ordering transition iniron oxide Fe4O5, involving competing dimer and trimer formation, Nature Chem.8 (5), 501 (2016).
(44) Zhang, Y. K., Wu, L. L.,* Wan, B., Zhao, Y., Gao, R., Li, Z.P., Zhang, J. W.,* Gou, H. Y. (缑慧阳)*, Mao,H. K., Structural variety beyond appearance: high-pressure phases of CrB4 in comparison with FeB4, Phys. Chem. Chem. Phys. 18 (4), 2361-2368 (2016).
(43) Wang, Y. C., Wu, L. L., Lin, Y. Z., Hu, Q. Y., Li, Z. P.,Liu, H. Y., Zhang, Y. K., Gou, H. Y. (缑慧阳)*, Yao,Y. S.,*Zhang, J. W., Gao, F. M., Mao, H. K., Structures and stability of novelt ransition-metal (M= Co, Rh, and Ir) borides, Phys. Rev. B 92 (17), 174106 (2015).
(42) Zhou, J., Lian, J., Hou, L., Zhang, J., Gou, H. Y. (缑慧阳), Xiao, M., Zhao, Y., Strobel, T. A., Tao, L., Gao, F. M. *, Ultra high volumetric capacitance and cyclic stability of fluorine and nitrogen co-doped carbon microspheres, Nature Comm., 6, 8503 (2015).
(41) Gou, H. Y. (缑慧阳)*, Yonke,B., Epshteyn, A., Kim, D. Y., Strobel, T. A. *, Pressure-Induced Polymerization of P(CN)3, J. Chem. Phys. 142 (19), 194503 (2015).
(40) Bykova, E.,* Gou, H. Y. (缑慧阳), Bykov, M., Durovinskaia, N., Durovinsky, L. S., Crystal structures and compressibility of novel iron borides Fe2B7 and FexB5O synthesized at high pressure and high temperature, J. Solid State Chem. 230, 102 (2015).
(39) Li, Y. L.,* Wang, S. N., Oganov, A. R. O,* Gou, H. Y. (缑慧阳), Smith, J. S., Strobel, T. A.,* Exoticstable calcium carbides: theory and experiment, Nature Comm., 6, 6974 (2015).
(38) Wu,L., * Biao Wan, B., Yan Zhao, Y., Yunkun Zhang, Y., Yachun Wang, Y.,Jingwu Zhang, J. W., Gou, H. Y. (缑慧阳) *, Unraveling Stable Vanadium Tetraboride and Triboride by First-principles Computations, J. Phys. Chem. C,119 (37), 21649-21657 (2015).
(37) Kotmool, K., Kaewmaraya, T., Chakraborty, S., Anversa, J.,Bovornratanaraks, T., Luo, W., Gou, H. Y. (缑慧阳), Piquini, T. W., Kang, T. W., Mao, H. K., * Ahuja,R. *, Revealing an unusual transparent phase of superhard iron tetraboride under high pressure, PNAS, 111, 17050-17053 (2014).
(36) Ovsyannikov, S. V., * Gou, H. Y. (缑慧阳) *, Karkin, A. E., Shchennikov, V. V., Wirth, R., Dmitriev, V.P.,Nakajima, Y., Durovinsky, L. S., Durovinskaia, N. Bulk silicon crystals withthe high boron content, Si1-xBx: two semiconductors form an unusual metal, Chem. Mater., 26, 5274-5281 (2014).
(35) Bykova, E.,* Tsirlin,A. A., Gou,H. Y. (缑慧阳), Durovinsky, L. S., Durovinskaia, N., Novel non-magnetic hard boride Co5B16 synthesized under high pressure, J Alloys Compd., 25, 69-72 (2014).
(34) Gou,H. Y. (缑慧阳), Tsirlin, A. A., * Bykova, E., Abakumov, A. M., Tendeloo, G. V., Richter, A.,Ovsyannikov, S.V., Kurnosov, A. V., Dmytro, M. T., Konôpková, Z., Liermann, H.P., Durovinsky, L. S., Durovinskaia, N. *, Peierls distortion, magnetism, and high hardness of manganesetetraboride, Phys. Rev. B 89, 064108-064116 (2014).
(33) Wang, Y. H., Wang, Y. C., Yao, T. K., Hui, L., Wu, L. L., Yang, M., Zhang,J. W.* and Gou, H. Y. (缑慧阳) *, Metallization and softening of B6O at high pressure, J Alloys Compd., 600, 71-77 (2014).
(32) Yang, M., Wang, Y. C., Yao, J. L., Li, Z. P., Zhang, J., Li, H., Zhang,J.W.* and Gou,H.Y. (缑慧阳) *, Structural distortion and band gap openingof hard MnB4 in comparison with CrB4 and FeB4, J Solid State Chem. Rapid Communication, 213, 52-56 (2014).
(31) Gou, H. Y. (缑慧阳), Durovinskaia, N., * Bykova, E., Tsirlin, A. A., Kasinathan, D., Richter, A., Merlini,M.,Hanfland, M., Abakumov, A. M., Batuk, D., Tendeloo , G. V., Nakajima, Y.,Kolmogorov, A. N., Durovinsky, L., Discovery of a superhard iron tetraboride superconductor. Phys. Rev. Lett. 111, 157002-157006 (2013). (Featuredin Physics (Viewpoint--Materials Prediction Scores a Hit, Physics 6, 109(2013)), Editors' Suggestion).
(30) Yao, T. K., Wang, Y. C., Li, H., Lian, J., Zhang, J. W. and Gou, H. Y. (缑慧阳) *, First-principles study of structural stability, elastic and electronicproperties of Ternary Rare Earth-TransitionMetal-Borides and Carbides (RTxZ, R = Sc, Y, and La, T = Pt and Pd, Z= B and C, and x = 2, 3, and 4). Physica B 431, 58–68 (2013).
(29) Wang, Y. C., Yao, T. K., Yao, J. L., Zhang, J. W. and Gou, H. Y. (缑慧阳) *, Structural and Relative Stabilities, Electronic Properties and Possible Reactive Routing of Osmium and Ruthenium Borides from First-principles Calculations. Dalton Trans., 42 (19), 7041-7050 ( 2013).
(28) Gou, H. Y. (缑慧阳), * Steinle-Neumann,S., * Bykova, E., Nakajima, Y., Miyajima, N., Li, Y., Ovsyannikov, S.V.,Durovinsky, L. S., Durovinskaia, N. *, Stability of MnB2 with AlB2-type structure revealed by first-principles calculations andsingle-crystal experiments. Appl. Phys. Lett. 102, 061906-061909 (2013).
(27) Ovsyannikov, S. V., * Gou, H. Y. (缑慧阳), Morozova, N.V., Tyagur, I., Tyagur, Y., Shchennikov V. V., Raman spectroscopy of ferroelectric Sn2P2S6 under high pressure up to 40 GPa: Phase transitions and metallization. J. Appl. Phys. 113, 013511-013520 (2013).
(26) Wang, Y. C., Yao, T. K., Yao, J. L., Zhang, J. W. and Gou, H. Y. (缑慧阳) *, Does the real ReN2 have the MoS2 structure? Phys. Chem. Chem. Phys. 15, 183-187 (2013).
(25) Yao, T. K., Wang, Y. C., Li, H., Lian, J., Zhang, J. W., Gou, H. Y. (缑慧阳) *, A universal trend of structural, mechanical and electronic properties in transition metal (M = V, Nb, and Ta) borides: First-principles calculations. Comput. Mater. Science, 65, 302-308 (2012).
(24) Niu, H., Gou,H. Y. (缑慧阳), Ewing, R. C., Lian,J. *, First principles investigation of structural, electronic, elastic and thermal properties ofrare-earth-doped titanate Ln2TiO5. AIP Advances, 2, 032114-032125 (2012).
(23) Gou, H. Y. (缑慧阳), * Li,Z. P., L. M. Wang, J. Lian, Wang, Y. C., Peculiar structure and tensile strength of WB4: nonstoichiometric origin. AIP Advances, 2, 012171-0121719 (2012).
(22) Gou, H. Y. (缑慧阳), Li, J. H., Li, H., Zhang, H. J., Li, Z. P., Ewing, R. C., Lian,J. *, Effect of interstitial atoms on the stability and electronic structure of Re3Zn alloy: First-principles calculations. Inter metallics, 24, 95-98 (2012).
(21) Wang, Y. C., Yao, T. K., Li, H., Lian, J., Li, J. H., Li, Z. P., Zhang, J.W., Gou, H. Y. (缑慧阳) *, Structural stability, phase transition, and mechanical and electronic properties of transition metal nitrides MN (M = Tc, Re, Os, and Ir): First-principles calculations. Comput. Mater. Science, 56, 116-121 (2012).
(20) Gou,H. Y. (缑慧阳), Li, Z. P., Zhang, J. W., Niu, H.,Gao, F. M., Ewing, R. C., Lian, J. *, Origin of stiffness in tetragonal MB (M=Cr, Mo and W) and formation of defective WB: First principle investigations. Comput. Mater. Science, 53, 460-463 (2012).
(19) Gou,H. Y. (缑慧阳), Li, Z. P., Niu, H., Gao, F. M.,Zhang, J. W., Ewing, R. C., Lian, J. *, Unusual rigidity and ideal strength of CrB4 and MnB4. Appl. Phys. Lett. 100, 111907-111910 (2012).
(18) Gou,H. Y. (缑慧阳), Zhang, J. W., Li, Z. P., Wang, G. K.,Gao, F. M., Ewing, R. C., Lian, J. *, Energetic stability, structural transition and thermodynamic properties of ZnSnO3. Appl. Phys. Lett. 98, 091914-091916 (2011).
(17) Gou,H. Y.(缑慧阳), Zhang, J. W., Li, Z. P., Yang, J., Hao, X. F., Gao, F. M. *, Structural transition, dielectric and bonding properties of BeCN2. Chin. Phys. B 20, 016201: 1-8 (2011).
(16) Yao, J. L., Takas, N. J., Schliefert, M. L., Paprocki, D. S., Blanchard,P. E. R., Gou,H. Y. (缑慧阳), Mar, A.,Exstrom, C. L., Darveau, S.A., Poudeu, P. F. P., Aitken, J. A. *, Thermoelectric properties of p-type CuInSe2 chalcopyrites enhanced by introduction of manganese. Phys. Rev. B 84, 075203-075212 (2011).
(15) Gou,H. Y.(缑慧阳), Gao, F. M., * Zhang,J. W., Structural identification, electronic and optical properties of ZnSnO3: First principle calculations. Comput. Mater. Science, 49, 552–555 (2010).
(14) Yang, J., Gao, F. M., * Wang,H. Y., Gou,H. Y. (缑慧阳), Hao, X. F., Li, Z. P., Elastic properties and hardness calculations of lanthanide nitrides in rock salt structure. Mater. Chem. Phys. 119, 499-504 (2010).
(13) Yang, K., Gou,H. Y. (缑慧阳), Zhang, B., Huang, R., Li, H., Lu, M.,Zhang, X.Y., Zhang, J. W. *, Microstructures and fracture features of cold-rolled low carbon steel sheetafter annealing and mechanical stress concurrently loaded. Mater. Sci. and Eng. A 205, 126-130 (2009).
(12) Wang, Z. B., Gao, F. M., * Li,N., Qu, N., Gou,H. Y. (缑慧阳), Hao, X. F., Density functional theorystudy of hexagonal carbon phases, J. Phys.: Condens.Matter. 21, 235401-235406 (2009).
(11) Gou,H. Y. (缑慧阳), Wang, Z., Zhang, J. W., Yan, S. T.,Gao, F. M. *, Structural stability, elastic and electronic properties ofrhenium borides: First principle investigations. Inorg.Chem. 48, 581–587 (2009).
(10) Gou,H. Y. (缑慧阳), Hou, L., Zhang, J. W., Sun, G. F.,Gao, L. H., Gao, F. M. *, First-principles calculations of the mechanical properties of boron-rich compounds B12N2X (X = Be, Zn, Cd). Phys. Stat. Sol.(b) 245, 58-61 (2008).
(9) Hou, L., Gao, F. M., * Gou, H. Y. (缑慧阳), Sun, G. F., Synthesis and first-principles studies of single-crystalline beta-BC2N with oxygen-bearing defects. Cryst. Growth Des. 8, 1972-1976 (2008).
(8) Gou,H. Y. (缑慧阳), Hou, L., Zhang, J. W., Gao, F. M. *, Pressure-induced incompressibility of ReC and effect of metallicbonding on its hardness. Appl. Phys. Lett. 92, 241901-241903 (2008).
(7) Gou,H. Y. (缑慧阳), Zhang, J. W., Gao, F. M. *, First-principles calculations of boron-rich compounds of B13N2 and B12C2X (X = Si, Ge). J Phys.B: Condens. Matter. 20, 505211-505216 (2008).
(6) Hou, L., Gao, F. M., * Sun,G., Gou,H. Y. (缑慧阳), Tian, M., Synthesis of high-purity boron nitride nanocrystal at low temperatures. Cryst.Growth Des. 7, 535-540 (2007).
(5) Wang, Y. H., Hou, L., Qin, X. J., Ma, S. D., Zhang, B., Gou, H. Y. (缑慧阳), Gao, F. M. *, Fabrication of single-crystalline beta-Ga2O3 nanowires and zigzag-shaped nanostructures. J. Phys. Chem. C. 111, 17506-17511 (2007).
(4) Gou,H. Y. (缑慧阳), Hou, L., Zhang, J. W., Li, H., Wang,Z. B., Gao, L. H., Gao, F. M. *, Cubic gamma-Be3N2: A superhard semiconductor predicted from first principles. Appl. Phys. Lett. 90, 191905-191907 (2007).
(3) Gou,H. Y. (缑慧阳), Hou, L., Zhang, J. W., Sun, G., Gao,L., Gao, F. M. *, Theoretical hardness of PtN2 withpyrite structure. Appl. Phys. Lett. 89, 141910-141912 (2006).
(2) Gou,H. Y. (缑慧阳), Hou, L., Zhang, J. W., Li, H., Sun,G. F., Gao, F. M. *, First-principles study of low compressibility osmium borides. Appl. Phys. Lett. 88, 221904-221906 (2006).
(1) Zhang, J. W.* , Gou, H. Y. (缑慧阳), Zheng, F., Zhang, X. Y., Zhang, X.Y., TEM Analysis of Phase Transition in the Cold-rolling Low Carbon Steel under High Pressure. Chinese Journal of High Pressure Physics, 18, 135-138 (2004).
Google Scholar page:
https://xue.glgoo.com/citations?user=cstxiBYAAAAJ&hl=zh-CN&oi=ao
ResearchGate page:
People are interested in our group for Postdocs, Ph.D. / joint Ph.D., and Master students, please contact Dr. Huiyang Gou (huiyang.gou@hpstar.ac.cn).
Contact info
Address:
Center for High Pressure Science and Technology Advanced Research (HPSTAR)
Room C208 No.10 Xibeiwang East Rd. Haidian, Beijing 100094, China
Tel:+86 (10) 5698-1749
Welcome to Our Lab
Novel Functional Materials Group (NFMG)
Our group is interested in the novel multi-functional materials, exploring the design principles and synthesis of novel functional materials. There is a strong focus on design, synthesis and application of superhard, superconducting and energy-related materials, and material characterizations using the state-of-art high-pressure techniques.
The goal of our research is to provide the fundamental understanding of these functional materials. We are designing novel functional materials with controlled composition, structure, and properties based on DFT. We synthesize and characterize these novel materials at ambient and extreme conditions and understand structure-property relationships in the development of multifunctional materials for potential applications in technological, electronics, optoelectronics, energy conversion and storage materials and devices.
PI |
Dr. Huiyang Gou 缑慧阳 STAFF SCIENTIST Center for High Pressure Science and Technology Advanced Research No.10 Xibeiwang East Rd. Haidian, Beijing 100094, China Tel.: +86 010-56981749 E-Mail: huiyang.gou@hpstar.ac.cn; huiyang.gou@gmail.com RESEARCH INTERESTS Novel functional materials under high pressure High pressure materials/physics/chemistry Computational materials science RESEARCH EXPERIENCE Oct.2015- Staff Scientist Center for High Pressure Science and Technology Advanced Research (HPSTAR), Beijing, China 2013– 2015,Postdoc Associate,Carnegie Institution of Washington, USA 2011– 2013,Alexander von Humboldt Postdoc fellowship, University Bayreuth,Germany 2009– 2011,Postdoc Associate, Rensselaer Polytechnic Institute, USA EDUCATION 2002– 2009,Ph D, Yanshan University 1996– 2000,Yanshan University HONORS & AWARDS Alexander von Humboldt Postdoc fellowship, 2011 |
Engineer |
Bingmin Yan 颜丙敏 Engineer | Ph.D. from Jilin University 吉林大学 | bingmin.yan@hpstar.ac.cn |
Postdocs |
Bo Gao 高波 | bo.gao@hpstar.ac.cn | ||
Hu Tang 唐虎 Materials Science | Ph.D. from Yanshan University 燕山大学 | hu.tang@hpstar.ac.cn |
Ph.D. Students |
Zhen Chen 陈真 Materials Science | M.S. from Chongqing University 重庆大学 | zhen.chen@hpstar.ac.cn | |
Shijing Zhao 赵仕敬 Materials Science | M.S. from Zhengzhou University 郑州大学 | shijing.zhao@hpstar.ac.cn | |
Wenfeng Peng 彭文峰 Materials Science | M.S. from Zhengzhou University 郑州大学 | wenfeng.peng@hpstar.ac.cn | |
Dajiian Huang 黄大建 Materials Science | B.S. from Xi'an Jiaotong University 西安交通大学 | dajian.huang@hpstar.ac.cn |
Master Students |
Qin Qin 秦琴 Materials Science | B.S. from University of Science & Technology Beijing 北京科技大学 | qin.qin@hpstar.ac.cn | |
Wenbo Cheng 成文博 Applied Chemistry | B.S. from Yanshan University 燕山大学 | wenbo.cheng@hpstar.ac.cn |
Visitors |
Xiaohong Yuan 袁晓红 Materials Science | Ph.D. from Yanshan University 燕山大学 | xiaohong.yuan@hpstar.ac.cn | |
Alumni |
Biao Wan 万彪 Applied physics | Joint Ph.D. candidate from Yanshan University 燕山大学 | biao.wan@hpstar.ac.cn | |
Cong Zhou 周丛 Fundamental physics | Intern student from Nankai University 南开大学 | 1543134727@qq.com |
Last update Sept. 6, 2017.
Research Scope
★ Novel functional materials under high pressure
★ High pressure materials/physics/chemistry
★ Computational materials science
Research Highlights
Our paper on a new graphitic carbon nitride solid made in DAC published in Chem. Mater.
Gou H, Zhu L I, Huang H T, et al. From Linear Molecular Chains to Extended Polycyclic Networks: Polymerization of Dicyanoacetylene[J].Chemistry of Materials. 2017,29(16):6706-6718.
July 26 2017
Our paper on LTO composite electrode material published in Nano energy.
Wang G, Lu C, Zhang X, et al. Toward ultrafast lithium ion capacitors: A novel atomic layer deposition seeded preparation of Li 4 Ti 5 O 12/graphene anode[J].Nano Energy, 2017, 36: 46-57.
Apr 14 2017
Our paper on beryllium hexaboride published in J Phys. Chem. Lett.
Wu L, Wan B, Liu H, et al. Coexistence of Superconductivity and Superhardness in Beryllium Hexaboride Driven by Inherent Multicenter Bonding.[J].Journal of physical chemistry letters, 2016, 7(23): 4898-4904.
21 Nov 2016
Our paper on novel transition-metal (M =Co, Rh, and Ir) borides published in Phys. Rev. B.
Wang Y, Wu L, Lin Y, et al. Structures and stability of novel transition metal (M= Co, Rh, Co and Ir) borides[J]. Physical Review B, 2015, 92(17): 174106.
16 Nov 2015
NFM Group Selected publications
2019 ▕ 2018 ▕ 2017 ▕ 2016 ▕ 2015 ▕ 2014 ▕ Earlier
(71) Qianqian Wang*, Huiyang Gou (缑慧阳) , Li Zhu, Haw-Tyng Huang, Arani Biswas, Brian L. Chaloux, Albert Epshteyn, James P. Yesinowski, Zhenxian Liu, George Cody, Mengdong Ma, Zhisheng Zhao, John V. Badding, Yingwei Fei, Clemens Prescher, Eran Greenberg, Vitali Prakapenka and Timothy A. Strobel* Modifying Amorphous Carbon Nitride through Extreme Phosphorous Substitution, ACS Mater. Lett., submit (2019).
(70) Ning Gong, Chunxing Deng, Lailei Wu*, Biao Wan, Zhibin Wang, Zhiping Li, Huiyang Gou (缑慧阳)*, Faming Gao, Predicted semiconducting beryllium sulfides in 3D and 2D configurations: Insights from first-principles calculations, J. Alloys and Compd., 781, 371-377 (2019).
(69) Chong Peng, Xiang Gao, Mingzhi Wang*, Lailei Wu, Hu Tang, Xiaomin Li, Qian Zhang, Yang Ren, Fuxiang Zhang, Yuhui Wang, Bing Zhang, Bo Gao, Qin Zou, Yucheng Zhao, Qian Yang, Dongxia Tian, Hong Xiao, Huiyang Gou (缑慧阳)*, Wenge Yang, Xuedong Bai, Wendy L Mao, Ho-kwang Mao, Diffusion-controlled alloying of single-phase multi-principal transition metal carbides with high toughness and low thermal diffusivity, Appl. Phys. Lett., 114 (1), 011905 (2019).
(68) Junshuang Zhou, Li Hou, Jie Lian, Wenbo Cheng, Dong Wang, Huiyang Gou (缑慧阳), Faming Gao*,Nitrogen-doped highly dense but porous carbon microspheres with ultrahigh volumetric capacitance and rate capability for supercapacitors, J. Mater. Chem. A. 7, 476-485 (2019).
(67) Lailei Wu, Ruifeng Tian, Biao Wan, Hanyu Liu, Ning Gong, Peng Chen, Tongde Shen, Yansun Yao*, Huiyang Gou (缑慧阳)*, Faming Gao, Prediction of Stable Iron Nitrides at Ambient and High Pressures with Progressive Formation of New Polynitrogen Species, Chem. Mater., 30 (23), 8476-8485 (2018).
(66) SH Zhang, X Zheng, QQ Jin, SJ Zheng, Dominik Legut, XH Yu, HY Gou (缑慧阳), ZH Fu, YQ Guo, BM Yan, C Peng, CQ Jin, TC Germann, RF Zhang, Unprecedented plastic flow channel in γ-B28 through ultrasoft bonds: A challenge to superhardness, Physical Review Materials,2 (12), 123602 (2018).
(65) Biao Wan, Yangfan Lu, Zewen Xiao, Yoshinori Muraba, Junghwan Kim, Dajian Huang, Lailei Wu, Huiyang Gou (缑慧阳)*, Jingwu Zhang, Faming Gao, Ho-kwang Mao, Hideo Hosono*, Identifying quasi-2D and 1D electrides in yttrium and scandium chlorides via geometrical identification, npj Computational Materials, 4 (1), 77 (2018).
(64) Hu Tang, Biao Wan, Bo Gao, Yoshinori Muraba, Qin Qin, Bingmin Yan, Peng Chen, Qingyang Hu, Dongzhou Zhang, Lailei Wu, Mingzhi Wang, Hong Xiao, Huiyang Gou (缑慧阳)*, Faming Gao, Ho‐kwang Mao, Hideo Hosono*, Metal‐to‐Semiconductor Transition and Electronic Dimensionality Reduction of Ca2N Electride under Pressure, Advanced Science, 1800666 (2018).
(63) Junshuang Zhou, Li Hou, Sunrui Luan, Jinlong Zhu, Huiyang Gou (缑慧阳), Dong Wang, Faming Gao*, Nitrogen Codoped Unique Carbon with 0.4 nm Ultra‐Micropores for Ultrahigh Areal Capacitance Supercapacitors, Small, 14 (36), 1801897 (2018).
(62) Ning Gong, Chunxing Deng, Lailei Wu*, Biao Wan, Zhibin Wang, Zhiping Li, Huiyang Gou (缑慧阳)*, Faming Gao, Structural Diversity and Electronic Properties of 3d Transition Metal Tetraphosphides, TMP4 (TM = V, Cr, Mn, and Fe), Inorg. Chem., 57 (15), pp 9385–9392 (2018).
(61) Junshuang Zhou, Li Hou, Jie Lian, Wenbo Cheng, Dong Wang, Huiyang Gou (缑慧阳), Faming Gao*, Nitrogen-doped highly dense but porous carbon microspheres with ultrahigh volumetric capacitance and rate capability for supercapacitors, J. Mater. Chem. A, Advance Article (2018).
(60) Yichun Wang, Xin Zhang, Peixun Xiong, Fuxing Yin, Yunhua Xu, Biao Wan, Qingzhou Wang, Gongkai Wang*, JI Puguang*, Huiyang Gou (缑慧阳)*, Insights on the intercalation mechanism of WSe2 onions toward metal ion capacitors: Sodium rivals Lithium, J. Mater. Chem. A, 6, 21605-21617 (2018).
(59) Hu Tang, Xiaohong Yuan, Pengfei Yu, Qingyang Hu, Mingzhi Wang*, Yansun Yao*, Lailei Wu, Qin Zou*, Yujiao Ke, Yucheng Zhao, Lei Wang, Xiaopu Li, Wenge Yang, Huiyang Gou (缑慧阳)*, Ho-kwang Mao, Wendy L. Mao. Revealing the formation mechanism of ultrahard nanotwinned diamond from onion carbon, Carbon, 129: 159-167 (2018).
(58) Derek W. Keefer, Huiyang Gou (缑慧阳), Qianqian Wang, Andrew Purdy, Albert Epshteyn, Stephen J. Juhl, George D. Cody, John Badding, and Timothy A. Strobel. Tetracyanomethane under Pressure: Extended CN Polymers from Precursors with Built-in sp3 Centers, J. Phys. Chem. A. 122 (11): 2858–2863 (2018).
(57) Adebayo A Adeleke, Michael J Greschner, Arnab Majumdar, Biao Wan, Hanyu Liu, Zhiping Li, Huiyang Gou (缑慧阳)*, Yansun Yao*. Single-bonded allotrope of nitrogen predicted at high pressure. Physical Review B. 96 (22): 224104 (2017).
(56) Yunkun Zhang, Biao Wan, Lailei Wu*, Zhiping Li, Zhibin Wang, Jingwu Zhang, Huiyang Gou (缑慧阳)*, Faming Gao, Revealing phase relations between Fe2B7 and FeB4 and hypothetical Fe2B7-type Ru2B7 and Os2B7: first-principles calculations, RSC Advances, 7 (71), 44860-44866 (2017).
(54) Gou, H. Y (缑慧阳)*, Li Zhu, Haw Tyng Huang, Arani Biswas, Derek W. Keefer, Brian L Chaloux, Clemens Prescher, Liuxiang Yang , Duck Young Kim, Matthew D Ward, Jordan Lerach, Shengnan Wang, Artem R Oganov, Albert Epshteyn, John V Badding, and Timothy A. Strobel*. From Linear Molecular Chains to Extended Polycyclic Networks: Polymerization of Dicyanoacetylene. Chem. Mater. 29 (16): 6706-6718 (2017).
(53) Ci Wang, Jie Sun, Gou,H.Y. (缑慧阳),Shanpeng Wang, Jian Zhang*, and Xutang Tao*, Intrinsic defects and their effects on the optical properties in the nonlinear optical crastal CdSiP2: a first principles study, Phys. Chem. Chem. Phys., 19 (14): 9558-9565 (2017).
(52) Gongkai Wang*, Chengxing Lu, Xin Zhang, Biao Wan, Hanyu Liu, Meirong Xia, Huiyang Gou (缑慧阳)*, Guoqing Xin, Jie Lian*, and Yongguang Zhang, Toward Ultrafast Lithium Ion Capacitors: a Novel Atomic Layer Deposition Seeded Preparation of Li4Ti5O12/Graphene Anode, Nano energy, 36. 46-57 (2017).
(51) Y Zhao, J Yu*, L Wu*, B Wan, Y Zhang, R Gao, JZhang, Gou,H.Y. (缑慧阳), Mechanical properties and electronic structures of diverse Pt-Al intermetallics: First-principles calculations, Computational Materials Science, 124, 273-281 (2016).
(50) L.Wu, B Wan, H Liu, Gou,H.Y. (缑慧阳)*, Y Yao,* Z Li, J Zhang, F Gao, Mao, H.K., Coexistence of Superconductivity and Superhardness in Beryllium Hexaboride Driven by Inherent Multicenter Bonding, J. Phys. Chem.Lett., 7 (23), pp 4898–4904 (2016).
(49) Derek William Keefer*, Gou, H. Y. (缑慧阳) , Andrew P Purdy, Albert Epshteyn, Duck Young Kim, John VBadding, Timothy A Strobel*,Pressure-Induced Polymerization of LiN(CN)2, The Journal of Physical Chemistry A. 120 (47), pp 9370–9377 (2016).
(48) Wang, J., Guo, W., Sun, H., Li, H., Gou, H. Y. (缑慧阳), Zhang, J.*, Plastic deformation behaviors and hardening mechanism of M7C3 carbide, Mater.Sci. and Engineering: A., 662, 88 (2016).
(47) Yonggang Wang*, Ligang Bai, Ting Wen,Liuxiang Yang,Gou,H.Y. (缑慧阳), Yuming Xiao, Paul Chow, Michael Pravica, Wenge Yang*, Yusheng Zhao*, Giant Pressure-Driven Lattice Collapse Coupled with Intermetallic Bonding and Spin-State Transition in Manganese Chalcogenides, Angew. Chem. Int. Ed. 55, 10350–10353 (2016).
(46) Wan, B., Xiao, F., Zhang, Y., Zhao, Y., Wu, L.*, Zhang, J., Gou, H. Y. (缑慧阳)*, Theoretical study of structural characteristics, mechanical properties andelectronic structure of metal (TM= V, Nb and Ta) silicides, J. Alloys and Compd. 681, 412 (2016).
(45) Ovsyannikov, S. V., *Bykov, M., Bykova, E., Kozlenko, D. P.,Tsirlin, A. A., Karkin, A. E., Shchennikov, V. V.,Kichanov, S. E. Gou, H. Y. (缑慧阳), Abakumov, A. M.,Egoavil, R., Verbeeck, J., McCammon, M., Vadim Dyadkin,V., Chernyshov, D.,Smaalen, S. V., Leonid S. Dubrovinsky, L. S., Charge-ordering transition iniron oxide Fe4O5, involving competing dimer and trimer formation, Nature Chem.8 (5), 501 (2016).
(44) Zhang, Y. K., Wu, L. L.,* Wan, B., Zhao, Y., Gao, R., Li, Z.P., Zhang, J. W.,* Gou, H. Y. (缑慧阳)*, Mao,H. K., Structural variety beyond appearance: high-pressure phases of CrB4 in comparison with FeB4, Phys. Chem. Chem. Phys. 18 (4), 2361-2368 (2016).
(43) Wang, Y. C., Wu, L. L., Lin, Y. Z., Hu, Q. Y., Li, Z. P.,Liu, H. Y., Zhang, Y. K., Gou, H. Y. (缑慧阳)*, Yao,Y. S.,*Zhang, J. W., Gao, F. M., Mao, H. K., Structures and stability of novelt ransition-metal (M= Co, Rh, and Ir) borides, Phys. Rev. B 92 (17), 174106 (2015).
(42) Zhou, J., Lian, J., Hou, L., Zhang, J., Gou, H. Y. (缑慧阳), Xiao, M., Zhao, Y., Strobel, T. A., Tao, L., Gao, F. M. *, Ultra high volumetric capacitance and cyclic stability of fluorine and nitrogen co-doped carbon microspheres, Nature Comm., 6, 8503 (2015).
(41) Gou, H. Y. (缑慧阳)*, Yonke,B., Epshteyn, A., Kim, D. Y., Strobel, T. A. *, Pressure-Induced Polymerization of P(CN)3, J. Chem. Phys. 142 (19), 194503 (2015).
(40) Bykova, E.,* Gou, H. Y. (缑慧阳), Bykov, M., Durovinskaia, N., Durovinsky, L. S., Crystal structures and compressibility of novel iron borides Fe2B7 and FexB5O synthesized at high pressure and high temperature, J. Solid State Chem. 230, 102 (2015).
(39) Li, Y. L.,* Wang, S. N., Oganov, A. R. O,* Gou, H. Y. (缑慧阳), Smith, J. S., Strobel, T. A.,* Exoticstable calcium carbides: theory and experiment, Nature Comm., 6, 6974 (2015).
(38) Wu,L., * Biao Wan, B., Yan Zhao, Y., Yunkun Zhang, Y., Yachun Wang, Y.,Jingwu Zhang, J. W., Gou, H. Y. (缑慧阳) *, Unraveling Stable Vanadium Tetraboride and Triboride by First-principles Computations, J. Phys. Chem. C,119 (37), 21649-21657 (2015).
(37) Kotmool, K., Kaewmaraya, T., Chakraborty, S., Anversa, J.,Bovornratanaraks, T., Luo, W., Gou, H. Y. (缑慧阳), Piquini, T. W., Kang, T. W., Mao, H. K., * Ahuja,R. *, Revealing an unusual transparent phase of superhard iron tetraboride under high pressure, PNAS, 111, 17050-17053 (2014).
(36) Ovsyannikov, S. V., * Gou, H. Y. (缑慧阳) *, Karkin, A. E., Shchennikov, V. V., Wirth, R., Dmitriev, V.P.,Nakajima, Y., Durovinsky, L. S., Durovinskaia, N. Bulk silicon crystals withthe high boron content, Si1-xBx: two semiconductors form an unusual metal, Chem. Mater., 26, 5274-5281 (2014).
(35) Bykova, E.,* Tsirlin,A. A., Gou,H. Y. (缑慧阳), Durovinsky, L. S., Durovinskaia, N., Novel non-magnetic hard boride Co5B16 synthesized under high pressure, J Alloys Compd., 25, 69-72 (2014).
(34) Gou,H. Y. (缑慧阳), Tsirlin, A. A., * Bykova, E., Abakumov, A. M., Tendeloo, G. V., Richter, A.,Ovsyannikov, S.V., Kurnosov, A. V., Dmytro, M. T., Konôpková, Z., Liermann, H.P., Durovinsky, L. S., Durovinskaia, N. *, Peierls distortion, magnetism, and high hardness of manganesetetraboride, Phys. Rev. B 89, 064108-064116 (2014).
(33) Wang, Y. H., Wang, Y. C., Yao, T. K., Hui, L., Wu, L. L., Yang, M., Zhang,J. W.* and Gou, H. Y. (缑慧阳) *, Metallization and softening of B6O at high pressure, J Alloys Compd., 600, 71-77 (2014).
(32) Yang, M., Wang, Y. C., Yao, J. L., Li, Z. P., Zhang, J., Li, H., Zhang,J.W.* and Gou,H.Y. (缑慧阳) *, Structural distortion and band gap openingof hard MnB4 in comparison with CrB4 and FeB4, J Solid State Chem. Rapid Communication, 213, 52-56 (2014).
(31) Gou, H. Y. (缑慧阳), Durovinskaia, N., * Bykova, E., Tsirlin, A. A., Kasinathan, D., Richter, A., Merlini,M.,Hanfland, M., Abakumov, A. M., Batuk, D., Tendeloo , G. V., Nakajima, Y.,Kolmogorov, A. N., Durovinsky, L., Discovery of a superhard iron tetraboride superconductor. Phys. Rev. Lett. 111, 157002-157006 (2013). (Featuredin Physics (Viewpoint--Materials Prediction Scores a Hit, Physics 6, 109(2013)), Editors' Suggestion).
(30) Yao, T. K., Wang, Y. C., Li, H., Lian, J., Zhang, J. W. and Gou, H. Y. (缑慧阳) *, First-principles study of structural stability, elastic and electronicproperties of Ternary Rare Earth-TransitionMetal-Borides and Carbides (RTxZ, R = Sc, Y, and La, T = Pt and Pd, Z= B and C, and x = 2, 3, and 4). Physica B 431, 58–68 (2013).
(29) Wang, Y. C., Yao, T. K., Yao, J. L., Zhang, J. W. and Gou, H. Y. (缑慧阳) *, Structural and Relative Stabilities, Electronic Properties and Possible Reactive Routing of Osmium and Ruthenium Borides from First-principles Calculations. Dalton Trans., 42 (19), 7041-7050 ( 2013).
(28) Gou, H. Y. (缑慧阳), * Steinle-Neumann,S., * Bykova, E., Nakajima, Y., Miyajima, N., Li, Y., Ovsyannikov, S.V.,Durovinsky, L. S., Durovinskaia, N. *, Stability of MnB2 with AlB2-type structure revealed by first-principles calculations andsingle-crystal experiments. Appl. Phys. Lett. 102, 061906-061909 (2013).
(27) Ovsyannikov, S. V., * Gou, H. Y. (缑慧阳), Morozova, N.V., Tyagur, I., Tyagur, Y., Shchennikov V. V., Raman spectroscopy of ferroelectric Sn2P2S6 under high pressure up to 40 GPa: Phase transitions and metallization. J. Appl. Phys. 113, 013511-013520 (2013).
(26) Wang, Y. C., Yao, T. K., Yao, J. L., Zhang, J. W. and Gou, H. Y. (缑慧阳) *, Does the real ReN2 have the MoS2 structure? Phys. Chem. Chem. Phys. 15, 183-187 (2013).
(25) Yao, T. K., Wang, Y. C., Li, H., Lian, J., Zhang, J. W., Gou, H. Y. (缑慧阳) *, A universal trend of structural, mechanical and electronic properties in transition metal (M = V, Nb, and Ta) borides: First-principles calculations. Comput. Mater. Science, 65, 302-308 (2012).
(24) Niu, H., Gou,H. Y. (缑慧阳), Ewing, R. C., Lian,J. *, First principles investigation of structural, electronic, elastic and thermal properties ofrare-earth-doped titanate Ln2TiO5. AIP Advances, 2, 032114-032125 (2012).
(23) Gou, H. Y. (缑慧阳), * Li,Z. P., L. M. Wang, J. Lian, Wang, Y. C., Peculiar structure and tensile strength of WB4: nonstoichiometric origin. AIP Advances, 2, 012171-0121719 (2012).
(22) Gou, H. Y. (缑慧阳), Li, J. H., Li, H., Zhang, H. J., Li, Z. P., Ewing, R. C., Lian,J. *, Effect of interstitial atoms on the stability and electronic structure of Re3Zn alloy: First-principles calculations. Inter metallics, 24, 95-98 (2012).
(21) Wang, Y. C., Yao, T. K., Li, H., Lian, J., Li, J. H., Li, Z. P., Zhang, J.W., Gou, H. Y. (缑慧阳) *, Structural stability, phase transition, and mechanical and electronic properties of transition metal nitrides MN (M = Tc, Re, Os, and Ir): First-principles calculations. Comput. Mater. Science, 56, 116-121 (2012).
(20) Gou,H. Y. (缑慧阳), Li, Z. P., Zhang, J. W., Niu, H.,Gao, F. M., Ewing, R. C., Lian, J. *, Origin of stiffness in tetragonal MB (M=Cr, Mo and W) and formation of defective WB: First principle investigations. Comput. Mater. Science, 53, 460-463 (2012).
(19) Gou,H. Y. (缑慧阳), Li, Z. P., Niu, H., Gao, F. M.,Zhang, J. W., Ewing, R. C., Lian, J. *, Unusual rigidity and ideal strength of CrB4 and MnB4. Appl. Phys. Lett. 100, 111907-111910 (2012).
(18) Gou,H. Y. (缑慧阳), Zhang, J. W., Li, Z. P., Wang, G. K.,Gao, F. M., Ewing, R. C., Lian, J. *, Energetic stability, structural transition and thermodynamic properties of ZnSnO3. Appl. Phys. Lett. 98, 091914-091916 (2011).
(17) Gou,H. Y.(缑慧阳), Zhang, J. W., Li, Z. P., Yang, J., Hao, X. F., Gao, F. M. *, Structural transition, dielectric and bonding properties of BeCN2. Chin. Phys. B 20, 016201: 1-8 (2011).
(16) Yao, J. L., Takas, N. J., Schliefert, M. L., Paprocki, D. S., Blanchard,P. E. R., Gou,H. Y. (缑慧阳), Mar, A.,Exstrom, C. L., Darveau, S.A., Poudeu, P. F. P., Aitken, J. A. *, Thermoelectric properties of p-type CuInSe2 chalcopyrites enhanced by introduction of manganese. Phys. Rev. B 84, 075203-075212 (2011).
(15) Gou,H. Y.(缑慧阳), Gao, F. M., * Zhang,J. W., Structural identification, electronic and optical properties of ZnSnO3: First principle calculations. Comput. Mater. Science, 49, 552–555 (2010).
(14) Yang, J., Gao, F. M., * Wang,H. Y., Gou,H. Y. (缑慧阳), Hao, X. F., Li, Z. P., Elastic properties and hardness calculations of lanthanide nitrides in rock salt structure. Mater. Chem. Phys. 119, 499-504 (2010).
(13) Yang, K., Gou,H. Y. (缑慧阳), Zhang, B., Huang, R., Li, H., Lu, M.,Zhang, X.Y., Zhang, J. W. *, Microstructures and fracture features of cold-rolled low carbon steel sheetafter annealing and mechanical stress concurrently loaded. Mater. Sci. and Eng. A 205, 126-130 (2009).
(12) Wang, Z. B., Gao, F. M., * Li,N., Qu, N., Gou,H. Y. (缑慧阳), Hao, X. F., Density functional theorystudy of hexagonal carbon phases, J. Phys.: Condens.Matter. 21, 235401-235406 (2009).
(11) Gou,H. Y. (缑慧阳), Wang, Z., Zhang, J. W., Yan, S. T.,Gao, F. M. *, Structural stability, elastic and electronic properties ofrhenium borides: First principle investigations. Inorg.Chem. 48, 581–587 (2009).
(10) Gou,H. Y. (缑慧阳), Hou, L., Zhang, J. W., Sun, G. F.,Gao, L. H., Gao, F. M. *, First-principles calculations of the mechanical properties of boron-rich compounds B12N2X (X = Be, Zn, Cd). Phys. Stat. Sol.(b) 245, 58-61 (2008).
(9) Hou, L., Gao, F. M., * Gou, H. Y. (缑慧阳), Sun, G. F., Synthesis and first-principles studies of single-crystalline beta-BC2N with oxygen-bearing defects. Cryst. Growth Des. 8, 1972-1976 (2008).
(8) Gou,H. Y. (缑慧阳), Hou, L., Zhang, J. W., Gao, F. M. *, Pressure-induced incompressibility of ReC and effect of metallicbonding on its hardness. Appl. Phys. Lett. 92, 241901-241903 (2008).
(7) Gou,H. Y. (缑慧阳), Zhang, J. W., Gao, F. M. *, First-principles calculations of boron-rich compounds of B13N2 and B12C2X (X = Si, Ge). J Phys.B: Condens. Matter. 20, 505211-505216 (2008).
(6) Hou, L., Gao, F. M., * Sun,G., Gou,H. Y. (缑慧阳), Tian, M., Synthesis of high-purity boron nitride nanocrystal at low temperatures. Cryst.Growth Des. 7, 535-540 (2007).
(5) Wang, Y. H., Hou, L., Qin, X. J., Ma, S. D., Zhang, B., Gou, H. Y. (缑慧阳), Gao, F. M. *, Fabrication of single-crystalline beta-Ga2O3 nanowires and zigzag-shaped nanostructures. J. Phys. Chem. C. 111, 17506-17511 (2007).
(4) Gou,H. Y. (缑慧阳), Hou, L., Zhang, J. W., Li, H., Wang,Z. B., Gao, L. H., Gao, F. M. *, Cubic gamma-Be3N2: A superhard semiconductor predicted from first principles. Appl. Phys. Lett. 90, 191905-191907 (2007).
(3) Gou,H. Y. (缑慧阳), Hou, L., Zhang, J. W., Sun, G., Gao,L., Gao, F. M. *, Theoretical hardness of PtN2 withpyrite structure. Appl. Phys. Lett. 89, 141910-141912 (2006).
(2) Gou,H. Y. (缑慧阳), Hou, L., Zhang, J. W., Li, H., Sun,G. F., Gao, F. M. *, First-principles study of low compressibility osmium borides. Appl. Phys. Lett. 88, 221904-221906 (2006).
(1) Zhang, J. W.* , Gou, H. Y. (缑慧阳), Zheng, F., Zhang, X. Y., Zhang, X.Y., TEM Analysis of Phase Transition in the Cold-rolling Low Carbon Steel under High Pressure. Chinese Journal of High Pressure Physics, 18, 135-138 (2004).
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People are interested in our group for Postdocs, Ph.D. / joint Ph.D., and Master students, please contact Dr. Huiyang Gou (huiyang.gou@hpstar.ac.cn).
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Address:
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Room C208 No.10 Xibeiwang East Rd. Haidian, Beijing 100094, China
Tel:+86 (10) 5698-1749