| Journal |
Article title |
Author(s) |
PDF |
| Adv. Mater. 34, 2106814 (2022) |
Lattice Polarity Manipulation of Quasi‐vdW Epitaxial GaN Films on Graphene Through Interface Atomic Configuration |
Fang Liu, Tao Wang, Zhihong Zhang, Tong Shen, Xin Rong, Bowen Sheng, Liuyun Yang, Duo Li, Jiaqi Wei, Shanshan Sheng, Xingguang Li, Zhaoying Chen, Renchun Tao, Ye Yuan, Xuelin Yang, Fujun Xu, Jingmin Zhang, Kaihui Liu, Xin‐Zheng Li, Bo Shen, Xinqiang Wang |
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| Nat. Commun. 13, 216 (2022) |
Engineering of atomic-scale flexoelectricity at grain boundaries |
Mei Wu, Xiaowei Zhang, Xiaomei Li, Ke Qu, Yuanwei Sun, Bo Han, Ruixue Zhu, Xiaoyue Gao, Jingmin Zhang, Kaihui Liu, Xuedong Bai, Xin-Zheng Li, Peng Gao |
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| Sci. Adv. 8, eabo2675 (2022) |
Ultrafast charge transfer coupled to quantum proton motion at molecule/metal oxide interface |
Weibin Chu, Shijing Tan, Qijing Zheng, Wei Fang, Yexin Feng, Oleg V Prezhdo, Bing Wang, Xin-Zheng Li, Jin Zhao |
PDF |
| arXiv preprint, arXiv:2201.08566 (2022) |
Dynamic phase transition theory |
QJ Ye, XZ Li |
PDF |
| Phys. Rev. B 105, 155148 (2022) |
Nonperturbative ab initio approach for calculating the electrical conductivity of a liquid metal |
XW Zhang, H Chen, EG Wang, J Shi, XZ Li |
PDF |
| J. Chem. Phys. 156, 124304 (2022) |
Determination of concerted or stepwise mechanism of hydrogen tunneling from isotope effects: Departure between experiment and theory |
Yi-Han Cheng, Yu-Cheng Zhu, Wei Kang, Xin-Zheng Li, Wei Fang |
PDF |
| Chin. Phys. B 31, 059901 (2022) |
Erratum to “Accurate GW0 band gaps and their phonon-induced renormalization in solids” |
T Shen, XW Zhang, MY Zhang, H Jiang, XZ Li |
PDF |
| Phys. Rev. Lett. 126, 185501 (2021) |
Dynamic Nature of High-Pressure Ice VII |
QJ Ye, L Zhuang, XZ Li |
PDF |
| Phys. Rev. B 103, 024101 (2021) |
Structural phase transition and Goldstone-like mode in hexagonal BaMnO3 |
X Zhang, QJ Ye, XZ Li |
PDF |
| Phys. Rev. B 103, 054111 (2021) |
Structural and electronic properties of solid molecular hydrogen from many-electron theories |
Ke Liao, Tong Shen, Xin-Zheng Li, Ali Alavi, Andreas Gr眉neis |
PDF |
| Phys. Rev. B 104, 184516 (2021) |
First-principles estimation of the superconducting transition temperature of a metallic hydrogen liquid |
Haoran Chen, Xiao-Wei Zhang, Xin-Zheng Li, Junren Shi |
PDF |
| Phys. Rev. B 104, 205307 (2021) |
Exciton-polariton properties of hexagonal BN-based microcavity and their potential applications in BEC and superconductivity |
Huaiyuan Yang, Xinqiang Wang, Xin-Zheng Li |
PDF |
| arXiv preprint, arXiv:2110.08873 (2021) |
Phonon-mediated exciton relaxation in two-dimensional semiconductors: selection rules and relaxation pathways |
XW Zhang, K Xie, EG Wang, T Cao, XZ Li |
PDF |
| Chin. Phys. B 30, 117101 (2021) |
Accurate GW0 band gaps and their phonon-induced renormalization in solids |
T Shen, XW Zhang, MY Zhang, H Jiang, XZ Li |
PDF |
| Nature 577, 60 (2020) |
Atomic imaging of the edge structure and growth of a two-dimensional hexagonal ice |
Runze Ma, Duanyun Cao, Chongqin Zhu, Ye Tian, Jinbo Peng, Jing Guo, Ji Chen, Xin-Zheng Li, Joseph S. Francisco, Xiao Cheng Zeng, Li-Mei Xu, En-Ge Wang, Ying Jiang |
PDF |
| Nat. Commun. 11, 1689 (2020) |
Origins of fast diffusion of water dimers on surfaces |
W Fang, J Chen, P Pedevilla, XZ Li, JO Richardson, A Michaelides |
PDF |
| Phys. Rev. B 101, 104102 (2020) |
Quantum paraelectricity of BaFe12O19 |
X Zhang, QJ Ye, H Xiang, XZ Li |
PDF |
| Phys. Rev. B 102, 045117 (2020) |
Influence of high-energy local orbitals and electron-phonon interactions on the band gaps and optical absorption spectra of hexagonal boron nitride |
Tong Shen, Xiao-Wei Zhang, Honghui Shang, Min-Ye Zhang, Xinqiang Wang, En-Ge Wang, Hong Jiang, Xin-Zheng Li |
PDF |
| Phys. Rev. Research 2, 013340 (2020) |
Superconducting transition temperatures of metallic liquids |
Huiying Liu, Ying Yuan, Donghao Liu, Xin-Zheng Li, Junren Shi |
PDF |
| Chin. Phys. Lett. 37, 043101 (2020) |
Discriminating high-pressure water phases using rare-event determined ionic dynamical properties |
L Zhuang, Q Ye, D Pan, XZ Li |
PDF |
| Adv. Funct. Mater. 29, 1905056 (2019) |
Epitaxy of Single‐Crystalline GaN Film on CMOS‐Compatible Si (100) Substrate Buffered by Graphene |
Yuxia Feng, Xuelin Yang, Zhihong Zhang, Duan Kang, Jie Zhang, Kaihui Liu, Xin-Zheng Li, Jianfei Shen, Fang Liu, Tao Wang, Panfeng Ji, Fujun Xu, Ning Tang, Tongjun Yu, Xinqiang Wang, Dapeng Yu, Weikun Ge, Bo Shen |
PDF |
| Nat. Commun. 10, 3971 (2019) |
Transparent proton transport through a two-dimensional nanomesh material |
J Xu, H Jiang, Y Shen, XZ Li, EG Wang, S Meng |
PDF |
| npj Comput. Mater. 5, 110 (2019) |
A comparative study using state-of-the-art electronic structure theories on solid hydrogen phases under high pressures |
K Liao, XZ Li, A Alavi, A Grüneis |
PDF |
| Int. Rev. Phys. Chem. 38, 35-61 (2019) |
The quantum nature of hydrogen |
W Fang, J Chen, Y Feng, XZ Li, A Michaelides |
PDF |
| Electronic Structure 1, 044005 (2019) |
Quantum dynamics simulations: combining path integral nuclear dynamics and real-time TDDFT |
P You, J Xu, C Lian, C Zhang, XZ Li, EG Wang, S Meng |
PDF |
| Electronic Structure 1, 044006 (2019) |
The phonon-related effective Hamiltonian method for displacive ferroelectric materials |
QJ Ye, XF Zhang, XZ Li |
PDF |
| J. Phys. Chem. B 123, 7740 (2019) |
From a Liquid to a Crystal without Going through a First-Order Phase Transition: Determining the Free Energy of Melting with Glassy Intermediates |
Lin Zhuang, Rui Wang, Gerrick E. Lindberg, Hongyi Hu, Xin-Zheng Li, Feng Wang |
PDF |
| Front. Chem. 7, 626 (2019) |
Advances in Atomic Force Microscopy: Weakly Perturbative Imaging of the Interfacial Water |
Duanyun Cao, Yizhi Song, Jinbo Peng, Runze Ma, Jing Guo, Ji Chen, Xinzheng Li, Ying Jiang, Enge Wang, Limei Xu |
PDF |
| bioRxiv, 732172 (2019) |
Chemistry of cation hydration and conduction in a skeletal muscle ryanodine receptor |
Zhaolong Wu, Congcong Liu, Hua Yu, Duan Kang, Yinping Ma, Xuemei Li, Lei Zhang, Chun Fan, Xin-Zheng Li, Chen Song, Chang-Cheng Yin, Youdong Mao |
PDF |
| Nature 557, 701 (2018) |
The effect of hydration number on the interfacial transport of sodium ions |
Jinbo Peng, Duanyun Cao, Zhili He, Jing Guo, Prokop Hapala, Runze Ma, Bowei Cheng, Ji Chen, Wen Jun Xie, Xin-Zheng Li, Pavel Jelínek, Li-Mei Xu, Yi Qin Gao, En-Ge Wang, Ying Jiang |
PDF |
| Nat. Commun. 9, 4807 (2018) |
Atomic scale insights into structure instability and decomposition pathway of methylammonium lead iodide perovskite |
Shulin Chen, Xiaowei Zhang, Jinjin Zhao, Ying Zhang, Guoli Kong, Qian Li, Ning Li, Yue Yu, Ningan Xu, Jingmin Zhang, Kaihui Liu, Qing Zhao, Jian Cao, Jicai Feng, Xinzheng Li, Junlei Qi, Dapeng Yu, Jiangyu Li, Peng Gao |
PDF |
| Phys. Rev. Lett. 121, 135702 (2018) |
Ferroelectric Problem beyond the Conventional Scaling Law |
Q Ye, ZY Liu, YX Feng, P Gao, XZ Li |
PDF |
| J. Phys. Chem. Lett. 9, 6536 (2018) |
Proton Migration in Hybrid Lead Iodide Perovskites: From Classical Hopping to Deep Quantum Tunneling |
Yexin Feng, Yicheng Zhao, Wen-Ke Zhou, Qi Li, Wissam A. Saidi, Qing Zhao, Xin-Zheng Li |
PDF |
| J. Chem. Phys. 148, 102329 (2018) |
The collective and quantum nature of proton transfer in the cyclic water tetramer on NaCl(001) |
Y Feng, Z Wang, J Guo, J Chen, EG Wang, Y Jiang, XZ Li |
PDF |
| Phys. Rev. B 98, 134110 (2018) |
Ab initio investigation on the experimental observation of metallic hydrogen |
XW Zhang, EG Wang, XZ Li |
PDF |
| Phys. Rev. Lett. 119, 126001 (2017) |
Simultaneous Deep Tunneling and Classical Hopping for Hydrogen Diffusion on Metals |
W Fang, JO Richardson, J Chen, XZ Li, A Michaelides |
PDF |
| J. Phys. Chem. Letters 8, 6009 (2017) |
Hydrogenation Facilitates Proton Transfer Through Two-Dimensional Crystals |
Y Feng, W Fang, J Chen, EG Wang, A Michaelides, XZ Li |
PDF |
| Chem. Mater. 29, 8588 (2017) |
Identifying the Ground State Geometry of a MoN2 Sheet through a Global Structure Search and Its Tunable p-Electron Half-Metallicity |
C Zhang, J Liu, H Shen, XZ Li, Q Sun |
PDF |
| J. Chem. Phys. 146, 034704 (2017) |
Hydrogen induced contrasting modes of initial nucleations of graphene on transition metal surfaces |
Y Feng, K Chen, XZ Li, E Wang, L Zhang |
PDF |
| Prog. Surf. Sci. 92, 203-239 (2017) |
Atomic-scale investigation of nuclear quantum effects of surface water: Experiments and theory |
J Guo, XZ Li, J Peng, EG Wang, Y Jiang |
PDF |
| Prog. Surf. Sci. 92, 203 (2017) |
Atomic-scale investigation of nuclear quantum effects of surface water: Experiments and theory |
Jing Guo, Xin-Zheng Li, Jinbo Peng, En-Ge Wang, Ying Jiang |
PDF |
| Chin. Phys. Lett. 34, 108301 (2017) |
Hydrogen-bond symmetrization of δ-AlOOH |
D Kang, YX Feng, Y Yuan, QJ Ye, F Zhu, HY Huo, XZ Li, X Wu |
PDF |
| Science 352, 321-325 (2016) |
Nuclear quantum effects of hydrogen bonds probed by tip-enhanced inelastic electron tunneling |
Jing Guo, Jing-Tao Lü, Yexin Feng, Ji Chen, Jinbo Peng, Zeren Lin, Xiangzhi Meng, Zhichang Wang, Xin-Zheng Li, En-Ge Wang, Ying Jiang |
PDF |
| J. Phys. Chem. Letters 7, 2125-2131 (2016) |
Inverse temperature dependence of nuclear quantum effects in DNA base pairs |
W Fang, J Chen, M Rossi, Y Feng, XZ Li, A Michaelides |
PDF |
| Nano Lett. 2016, 1328-1334 (2016) |
Lattice-Polarity-Driven Epitaxy of Hexagonal Semiconductor Nanowires |
Ping Wang, Ying Yuan, Chao Zhao, Xinqiang Wang, Xiantong Zheng, Xin Rong, Tao Wang, Bowen Sheng, Qingxiao Wang, Yongqiang Zhang, Lifeng Bian, Xuelin Yang, Fujun Xu, Zhixin Qin, Xinzheng Li, Xixiang Zhang, Bo Shen |
PDF |
| arXiv preprint, arXiv:1607.02348 (2016) |
The quantum nature of the superconducting hydrogen sulfide at finite temperatures |
Y Yuan, Y Feng, L Bian, DB Zhang, XZ Li |
PDF |
| J. Phys. Chem. C 120, 16954-16959 (2016) |
Light driving and monitoring growth of single gold nanorods |
Y He, Y Cheng, J Zhao, XZ Li, Q Gong, G Lu |
PDF |
| Chin. Phys. B 25, 013104 (2016) |
Ab initio path-integral molecular dynamics and the quantum nature of hydrogen bonds |
Y Feng, J Chen, XZ Li, E Wang |
PDF |
| Nat. Phys. 11, 235-239 (2015) |
Direct visualization of concerted proton tunnelling in a water nanocluster |
Xiangzhi Meng, Jing Guo, Jinbo Peng, Ji Chen, Zhichang Wang, Jun-Ren Shi, Xin-Zheng Li, En-Ge Wang, Ying Jiang |
PDF |
| Chin. Sci. Bull. 60, 2824-2832 (2015) |
Applications of path-integral molecular dynamics simulations to phase transition problems |
F YeXin, C Ji, LI XinZheng, W EnGe |
PDF |
| Nano Lett. 15, 903-908 (2015) |
Direct observation of ordered configurations of hydrogen adatoms on graphene |
Chenfang Lin, Yexin Feng, Yingdong Xiao, Michael Dürr, Xiangqian Huang, Xiaozhi Xu, Ruguang Zhao, Enge Wang, Xin-Zheng Li, Zonghai Hu |
PDF |
| Phys. Rev. B 92, 041104 (2015) |
Anisotropic magnetotransport and exotic longitudinal linear magnetoresistance in WTe2 crystals |
Yanfei Zhao, Haiwen Liu, Jiaqiang Yan, Wei An, Jun Liu, Xi Zhang, Huichao Wang, Yi Liu, Hua Jiang, Qing Li, Yong Wang, Xin-Zheng Li, David Mandrus, XC Xie, Minghu Pan, Jian Wang |
PDF |
| J. Chem. Phys. 142, 064506 (2015) |
Nuclear quantum effects on the high pressure melting of dense lithium |
Y Feng, J Chen, D Alfè, XZ Li, E Wang |
PDF |
| New J. Phys. 17, 063023 (2015) |
Supercritical phenomenon of hydrogen beyond the liquid–liquid phase transition |
R Li, J Chen, X Li, E Wang, L Xu |
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| AIP Adv. 5, 097213 (2015) |
Structural determination of argon trimer |
X Xie, C Wu, Y Yuan, XZ Li, C Wu, P Wang, Y Deng, Y Liu, Q Gong |
PDF |
| Acta Physica Sinica 64, 183101 (2015) |
A fully quantum description of the free-energy in high pressure hydrogen |
Ji Chen, Yexin Feng, Xinzheng Li, Enge Wang |
PDF |
| Nat. Mater. 13, 184-189 (2014) |
Real-space imaging of interfacial water with submolecular resolution |
Jing Guo, Xiangzhi Meng, Ji Chen, Jinbo Peng, Jiming Sheng, Xin-Zheng Li, Limei Xu, Jun-Ren Shi, Enge Wang, Ying Jiang |
PDF |
| Nat. Commun. 5, 4056 (2014) |
An unconventional bilayer ice structure on a NaCl (001) film |
J Chen, J Guo, X Meng, J Peng, J Sheng, L Xu, Y Jiang, XZ Li, EG Wang |
PDF |
| Sci. Rep. 4, 6521 (2014) |
Evidence of Type-II Band Alignment in III-nitride Semiconductors: Experimental and theoretical investigation for In0. 17Al0. 83N/GaN heterostructures |
Jiaming Wang, Fujun Xu, Xia Zhang, Wei An, Xin-Zheng Li, Jie Song, Weikun Ge, Guangshan Tian, Jing Lu, Xinqiang Wang, Ning Tang, Zhijian Yang, Wei Li, Weiying Wang, Peng Jin, Yonghai Chen, Bo Shen |
PDF |
| J. Chem. Phys. 141, 024501 (2014) |
On the room-temperature phase diagram of high pressure hydrogen: An ab initio molecular dynamics perspective and a diffusion Monte Carlo study |
J Chen, X Ren, XZ Li, D Alfè, E Wang |
PDF |
| J. Chem. Phys. 141, 084701 (2014) |
Systematic investigation on topological properties of layered GaS and GaSe under strain |
W An, F Wu, H Jiang, GS Tian, XZ Li |
PDF |
| J. Phys.: Condens. Matter 26, 485004 (2014) |
Microscopic origin for the orientation dependence of NV centers in chemical-vapor-deposited diamond |
Y Feng, XZ Li, EG Wang, SB Zhang, L Zhang |
PDF |
| J. Phys. Chem. B 118, 743-751 (2014) |
Stable salt–water cluster structures reflect the delicate competition between ion–water and water–water interactions |
CW Liu, F Wang, L Yang, XZ Li, WJ Zheng, YQ Gao |
PDF |
| Nat. Commun. 4, 2064 (2013) |
Quantum simulation of low-temperature metallic liquid hydrogen |
Ji Chen, Xin-Zheng Li, Qianfan Zhang, Matthew IJ Probert, Chris J Pickard, Richard J Needs, Angelos Michaelides, Enge Wang |
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| Comput. Phys. Commun. 184, 348-366 (2013) |
FHI-gap: A GW code based on the all-electron augmented plane wave method |
Hong Jiang, Ricardo I Gómez-Abal, Xin-Zheng Li, Christian Meisenbichler, Claudia Ambrosch-Draxl, Matthias Scheffler |
PDF |
| Phys. Chem. Chem. Phys. 15, 6344-6349 (2013) |
Nature of proton transport in a water-filled carbon nanotube and in liquid water |
J Chen, XZ Li, Q Zhang, A Michaelides, E Wang |
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| J. Phys.: Condens. Matter 25, 085402 (2013) |
Classical and quantum ordering of protons in cold solid hydrogen under megabar pressures |
XZ Li, B Walker, MIJ Probert, CJ Pickard, RJ Needs, A Michaelides |
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| New J. Phys. 14, 023006 (2012) |
Impact of widely used approximations to the G0W0 method:an all-electron perspective |
XZ Li*, RI Gomez-Abal, H Jiang, C Ambrosh-Draxl,and M Scheffler |
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| Proc. Natl. Acad. Sci. U.S.A. 108, 6369 (2011) |
Quantum nature of the hydrogen bond |
XZ li, B Walker, and A Michaelides |
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| Phys. Rev. Lett, 104, 066102 (2010) |
Quantum nature of the proton in water-hydroxyl overlayers on metal surfaces |
XZ Li, MIJ Probert, A Alavi, and A Michaelides |
PDF |
| Phys. Rev. Lett, 101, 106404 (2008) |
Influence of the Core-Valence Interaction and of the Pseudopotential Approximation on the Electron Self-Energy in Semiconductors |
RI Gomez-Abal, XZ Li, C Ambrosh-Draxl, and M Scheffler |
PDF |
| Ph.D thesis, FU Berlin (2008) |
All-electron GW code based on FP-(L)APW+lo and applications |
XZ Li |
PDF |
| Phys. Rev. B 68, 165316 (2003) |
Effects of electric field on the electronic structure and optical properties of quantum rods with wurtzite structure |
XZ Li and JB Xia |
PDF |
| Phys. Rev. B 66, 115316 (2002) |
Electronic structure and optical properties of quantum rods with wurtzite structure |
XZ Li and JB Xia |
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