X. Ke

发表

First-principles study of the vibrational characteristics of the heavy element substitution on Cu3SbSe3

Xin-jun Sun, Jiong Yang, Wenqing Zhang, 2019, Computational Materials Science.

Strong electron-phonon interaction induced significant reduction in lattice thermal conductivities for single-layer MoS2 and PtSSe

Jinyang Xi, Jiong Yang, X. Ke, 2020 .

Anomalous lattice dynamics near the ferroelectric instability in PbTe.

P. Kent, Changfeng Chen, Yi Zhang, 2011, Physical review letters.

Ab initio investigation of pressure-induced structural transitions and electronic evolution of Th3N4

Yongliang Guo, X. Ke, P. Huai, 2020 .

Structural and electronic phase transitions of ThS 2 from first-principles calculations

Changfeng Chen, Wujie Qiu, Cheng Cheng, 2016 .

A new phase of ThC at high pressure predicted from a first-principles study

Wujie Qiu, Cheng Cheng, Yongliang Guo, 2015 .

Phonon density of states of metallic Sn at high pressure.

A. Alatas, C. Greeff, S. Rudin, 2007, Physical review letters.

Atomistic mechanism of proton conduction in solid CsHSO4 by a first-principles study

I. Tanaka, X. Ke, 2004 .

Carbon-atom chain formation in the core of nanotubes

X. Ke, F. Zhang, Zhenxia Wang, 2000 .

Study of phase-sensitive heterodyne locking

Lei Zhang, Xuezhi Ke, Peng Yang, 2021, Other Conferences.

Pressure induced structural changes in the potential hydrogen storage compound ammonia borane: A combined X-ray, neutron and theoretical investigation

S. Sinogeikin, L. Daemen, S. Vogel, 2010 .

Cubic and orthorhombic structures off aluminum hydride AlH3 predicted by a first-principles study

A. Kuwabara, I. Tanaka, X. Ke, 2005 .

The origin of intrinsic charge transport for Dirac carbon sheet materials: roles of acetylenic linkage and electron-phonon couplings.

Jinyang Xi, Jiong Yang, X. Ke, 2019, Nanoscale.

Effect of pressure and temperature on structural stability of potential hydrogen storage compound Li3AlH6

Changfeng Chen, Ravhi S Kumar, X. Ke, 2008 .

Microstructure and a nucleation mechanism for nanoprecipitates in PbTe-AgSbTe2.

P. Kent, Changfeng Chen, Lijun Wu, 2009, Physical review letters.

Structure family and polymorphous phase transition in the compounds with soft sublattice: Cu2Se as an example.

P. Lu, Lihua Wu, Fangfang Xu, 2016, The Journal of chemical physics.

First-principles study on the phase transitions, crystal stabilities and thermodynamic properties of TiN under high pressure

Yongliang Guo, X. Ke, Deyan Sun, 2018 .

Hydrogen storage behavior in C15 Laves phase compound TiCr2 by first principles

Jijun Zhao, B. Johansson, Fen Li, 2009 .

Thermodynamic functions and pressure-temperature phase diagram of lithium alanates by ab initio calculations

Changfeng Chen, X. Ke, 2007 .

Equation of state of TiH2 up to 90 GPa: A synchrotron x-ray diffraction study and ab initio calculations

S. Sinogeikin, Changfeng Chen, T. Hartmann, 2010 .

Electronic, mechanical and thermodynamic properties of ZrC, HfC and their solid solutions studied by first-principles calculation

Yongliang Guo, X. Ke, Z. Jiao, 2021 .

Thermodynamic properties of PbTe, PbSe, and PbS: First-principles study

P. Kent, Changfeng Chen, Yi Zhang, 2009 .

Lattice Dynamics and Lattice Thermal Conductivity of Thorium Dicarbide

Wenqing Zhang, Wujie Qiu, X. Ke, 2014 .

Pressure-induced structural transformations and polymerization in ThC2

Cun Yu, Yongliang Guo, X. Ke, 2017, Scientific Reports.

A Critical Review of Machine Learning Techniques on Thermoelectric Materials.

Jinyang Xi, L. Xi, X. Ke, 2023, The journal of physical chemistry letters.

A new carbon solid made of the world's smallest caged fullerene C20

Rong-Bin Huang, Xuezhi Ke, H Chen, 2001 .

First-principles investigation of the bonding, optical and lattice dynamical properties of CeO2

S. Shi, Weihua Tang, C. Ouyang, 2009 .

Part-crystalline part-liquid state and rattling-like thermal damping in materials with chemical-bond hierarchy

Wujie Qiu, Jihui Yang, P. Wei, 2014, Proceedings of the National Academy of Sciences.

First-principles study on crystal structures and superconductivity of molybdenum hydrides under high pressure

Yongliang Guo, X. Ke, Changdong Liu, 2020 .

“Phonon” scattering beyond perturbation theory

Lihua Wu, Wujie Qiu, Jiong Yang, 2016 .

Molecular dynamics simulation of C20 fullerene

Fu-hui Wang, X. Ke, Zhengdan Zhu, 1999 .

Structural phase transitions, mechanical and electronic properties of ZrSe2 under high pressures via the first-principles calculations

Yongliang Guo, X. Ke, Sha Wang, 2023, Computational Materials Science.

Structure, Electrode Voltage and Activation Energy of LiMnxCoyNi1-x-yO2 Solid Solutions as Cathode Materials for Li Batteries from First-Principles

Jijun Zhao, Bao-lin Wang, X. Ke, 2012 .

Structural Phase Transition of ThC Under High Pressure

Wenge Yang, Cun Yu, Yongliang Guo, 2017, Scientific Reports.

Structure and energetics for an additional H absorbed into superionic phase of CsHSO4 by a first‐principles study

X. Ke, Yongjun Ma, 2008 .

Prediction of structural and phase transitions of Th2CN from ambient pressure to 100 GPa: A first-principles study

Z. Zhu, Yongliang Guo, X. Ke, 2021, Computational Materials Science.

Ab initio study on crystal structure and phase stability of ZrC2 under high pressure

X. Ke, Yong Guo, Z. Jiao, 2021, Chinese Physics B.

First-principles study of lattice dynamics of LiFePO4

Liquan Chen, S. Shi, C. Ouyang, 2009 .

Nanodopant-induced band modulation in AgPb(m)SbTe(2+m)-type thermoelectrics.

P. Kent, Changfeng Chen, Yi Zhang, 2011, Physical review letters.

First-principles study on structural, mechanical and electronic properties of thorium dichalcogenides under high pressure

Yongliang Guo, X. Ke, P. Huai, 2018, Journal of Nuclear Materials.

Melting and dissociation of ammonia at high pressure and high temperature.

X. Ke, A. Goncharov, R. McWilliams, 2012, The Journal of chemical physics.

Diverse lattice dynamics in ternary Cu-Sb-Se compounds

Lihua Wu, Jihui Yang, Wujie Qiu, 2015, Scientific Reports.

Decomposition reactions for NaAlH4, Na3AlH6, and NaH: First-principles study

I. Tanaka, X. Ke, 2005 .

Dehydrogenation reaction for Na-O-H system: a first-principles study.

Xin-bo Zhang, S. Shi, Qiang Xu, 2007, Chemphyschem : a European journal of chemical physics and physical chemistry.