Publications - Li Zhu

Publications

Complete list of publications can also be found on Google Scholar.

2019

  1. "Modifying Carbon Nitride through Extreme Phosphorus Substitution",
    Qianqian Wang, Huiyang Gou, Li Zhu, Haw-Tyng Huang, Arani Biswas, Brian L. Chaloux, Albert Epshteyn, James P. Yesinowski, Zhenxian Liu, George Cody, Mengdong Ma, Zhisheng Zhao, Yingwei Fei, Clemens Prescher, Eran Greenberg, Vitali Prakapenka, and Timothy A. Strobel
    ACS Materials Lett. 1, 14 (2019) DOI: 10.1021/acsmaterialslett.9b00010
  1. "High-Pressure Behavior of C2I2 and Polymerization to a Conductive Polymer",
    QMatthew D. Ward, Haw-Tyng Huang, Li Zhu, Dmitry Popov, and Timothy A. Strobel
    J. Phys. Chem. C , (2019) DOI: 10.1021/acs.jpcc.8b12161

2018

  1. "Effect of covalent bonding on the superconducting critical temperature of the H-S-Se system",
    Binbin Liu, Wenwen Cui, Jingming Shi, Li Zhu, Ju Chen, Shuyi Lin, Ruiming Su, Jiayu Ma, Kang Yang, Meiling Xu, Jian Hao, Artur P. Durajski, Jingshan Qi, Yanling Li, and Yinwei Li
    Phys. Rev. B 98, 174101 (2018) DOI: 10.1103/PhysRevB.98.174101
  1. "Surprising Stability of Cubane Under Extreme Pressure",
    Haw-Tyng Huang, Li Zhu, Matthew D. Ward, Brian L Chaloux, Rostislav Hrubiak, Albert Epshteyn, John V. Badding, and Timothy A. Strobel
    J. Phys. Chem. Lett. 9, 2031 (2018) DOI: 10.1021/acs.jpclett.8b00395
  1. "Chemistry through cocrystals: pressure-induced polymerization of C2H2·C6H6 to an extended crystalline hydrocarbon",
    Matthew D. Ward, Haw-Tyng Huang, Li Zhu, Arani Biswas, Dmitry Popov, John V. Badding and Timothy A. Strobel
    Phys. Chem. Chem. Phys. 20, 7282 (2018) DOI: 10.1039/C7CP07852H

2017

  1. "Prediction of a thermodynamically stable carbon-based clathrate",
    Li Zhu, Hanyu Liu, R. E. Cohen, Roald Hoffmann, Timothy A. Strobel
    arXiv:1708.03483 (2017)
  2. "From Linear Molecular Chains to Extended Polycyclic Networks: Polymerization of Dicyanoacetylene",
    Huiyang Gou, Li Zhu (co-first), 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, Timothy A. Strobel
    Chem. Mater. 29, 6706 (2017) DOI: 10.1021/acs.chemmater.7b01446
  3. "Crystal Structures of CaB3N3 at High Pressures",
    Miao Zhang, Ya-Nan Guo, Li Zhu, Xiaolei Feng, Simon Redfern, Jiuhua Chen, Hanyu Liu, John Tse
    Inorg. Chem. 56, 7449 (2017) DOI: 10.1021/acs.inorgchem.7b00904

2016

  1. "Structure and Electronic Properties of Fe2SH3 Compound under High Pressure",
    Shoutao Zhang, Li Zhu, Hanyu Liu, and Guochun Yang
    Inorg. Chem. 55, 11434 (2016) DOI: 10.1021/acs.inorgchem.6b01949
  2. "A fingerprint based metric for measuring similarities of crystaline structures",
    Li Zhu, Maximilian Amsler, Tobias Fuhrer, Bastian Schaefer, Somayeh Fareji, Alireza Ghasemi, Migle Grauzinyte, Chris Wolverton, and Stefan Goedecker
    J. Chem. Phys. 144, 034203 (2016) DOI: 10.1063/1.4940026

2015

  1. "Materials discovery via CALYPSO methodology",
    Yanchao Wang, Jian Lv, Li Zhu, Shaohua Lu, Ketao Yin, Quan Li, Hui Wang, Lijun Zhang and Yanming Ma
    J. Phys.: Condens. Matter 27, 203203 (2015) DOI: 10.1088/0953-8984/27/20/203203
  2. "Gluing together metallic and covalent layers to form Ru2C under ambient conditions",
    Weiwei Sun, Yunguo Li, Li Zhu, Yanming Ma, Igor Di Marco, Börje Johansson and Pavel Korzhavyi
    Phys. Chem. Chem. Phys. 17, 9730 (2015) DOI: 10.1039/C4CP05407E
  3. "Pressure-Induced Reversible Phase Transformation in Nanostructured Bi2Te3 with Reduced Transition Pressure",
    Guanjun Xiao, Kai Wang, Li Zhu, Xiao Tan, Yuancun Qiao, Ke Yang, Yanming Ma, Bingbing Liu, Weitao Zheng, and Bo Zou
    J. Phys. Chem C 119, 3843 (2015) DOI: 10.1021/jp512565b

2014

  1. "Xenon Reacts with Iron at the Conditions of the Earth's Core",
    Li Zhu, Hanyu Liu, Chris J. Pickard, Guangtian Zou, and Yanming Ma
    Nature Chem. 6, 644 (2014) DOI: 10.1038/nchem.1925
  2. "B38: An All-boron Fullerene Analogue",
    Jian Lv, Yanchao Wang, Li Zhu and Yanming Ma
    Nanoscale 6, 11692 (2014) DOI: 10.1039/C4NR01846J
  3. "Metallization and superconductivity of BeH2 under high pressure",
    Ziwei Wang, Yansun Yao, Li Zhu, Hanyu Liu, Toshiaki Iitaka, Hui Wang, and Yanming Ma
    J. Chem. Phys. 140, 124707 (2014) DOI: 10.1063/1.4869145

2013

  1. "Stabilization of 9/10-Fold Structure in Bismuth Selenide at High Pressures",
    Guangtao Liu, Li Zhu, Yanmei Ma, Chuanlong Lin, Jing Liu, and Yanming Ma
    J. Phys. Chem. C 117, 10045 (2013) DOI: 10.1021/jp402697t

2012

  1. "Spiral chain O4 form of dense oxygen",
    Li Zhu, Ziwei Wang, Yanchao Wang, Guangtian Zou, Ho-kwang Mao, and Yanming Ma
    Proc. Natl. Acad. Sci. USA 109, 751 (2012) DOI: 10.1073/pnas.1119375109
  2. "Synthesis and high-pressure transformation of metastable wurtzite-structured CuGaS2 nanocrystals",
    Ningru Xiao, Li Zhu, Kai Wang, Quanqin Dai, Yingnan Wang, Shourui Li, Yongming Sui, Yanming Ma, Jing Liu, Bingbing Liu, Guangtian Zou and Bo Zou
    Nanoscale 4, 7443 (2012) DOI: 10.1039/C2NR31629C
  3. "Room-temperature structures of solid hydrogen at high pressures",
    Hanyu Liu, Li Zhu, Wenwen Cui, and Yanming Ma
    J. Chem. Phys. 137, 074501 (2012) DOI: 10.1063/1.4745186
  4. "CALYPSO: A method for crystal structure prediction",
    Yanchao Wang, Jian Lv, Li Zhu and Yanming Ma
    Comput. Phys. Commun. 183, 2063 (2012) DOI: 10.1016/j.cpc.2012.05.008
  5. "Pressure-Induced Formation of Noble Metal Hydrides",
    Guoying Gao, Hui Wang, Li Zhu, and Yanming Ma
    J. Phys. Chem. C 116, 1995 (2012) DOI: 10.1021/jp210780m
  6. "Particle-swarm structure prediction on clusters",
    Jian Lv, Yanchao Wang, Li Zhu, and Yanming Ma
    J. Chem. Phys. 137, 084104 (2012) DOI: 10.1063/1.4746757
  7. "An effective structure prediction method for layered materials based on 2D particle swarm optimization algorithm",
    Yanchao Wang, Maosheng Miao, Jian Lv, Li Zhu, Ketao Yin, Hanyu Liu, and Yanming Ma
    J. Chem. Phys. 137, 224108 (2012) DOI: 10.1063/1.4769731

2011

  1. "Substitutional Alloy of Bi and Te at High Pressure",
    Li Zhu, Hui Wang, Yanchao Wang, Jian Lv, Yanmei Ma, Qiliang Cui, Yanming Ma, and Guangtian Zou
    Phys. Rev. Lett. 106, 145501 (2011) DOI: 10.1103/PhysRevLett.106.145501
  2. "High pressure partially ionic phase of water ice",
    Yanchao Wang, Hanyu Liu, Jian Lv, Li Zhu, Hui Wang and Yanming Ma
    Nature Commun. 2, 563 (2011) DOI: 10.1038/ncomms1566
  3. "Predicted Novel High-Pressure Phases of Lithium",
    Jian Lv, Yanchao Wang, Li Zhu, and Yanming Ma
    Phys. Rev. Lett. 106, 015503 (2011) DOI: 10.1103/PhysRevLett.106.015503
  4. "Superhard polymorphs of diamond-like BC7",
    Hanyu Liu, Quan Li, Li Zhu, and Yanming Ma
    Solid State Commun. 115, 716 (2011) DOI: 10.1016/j.ssc.2011.02.013
  5. ""Superhard and superconductive polymorphs of diamond-like BC3",
    Hanyu Liu, Quan Li, Li Zhu, and Yanming Ma
    Phys. Lett. A 375, 771 (2011) DOI: 10.1016/j.physleta.2010.12.034

2010

  1. "Crystal structure prediction via particle-swarm optimization",
    Yanchao Wang, Jian Lv, Li Zhu, and Yanming Ma
    Phys. Rev. B 82, 094116 (2010) DOI: 10.1103/PhysRevB.82.094116