H. Xiao

发表

Engineering the electronic and magnetic properties of d(0) 2D dichalcogenide materials through vacancy doping and lattice strains.

X. Zu, L. Ao, A. Pham, 2016, Physical chemistry chemical physics : PCCP.

Electronic Structure, Optical Properties, and Photoelectrochemical Activity of Sn-Doped Fe2O3 Thin Films

J. MacManus‐Driscoll, L. Chen, D. Qi, 2020 .

Adsorption of hydrogen on boron-doped graphene: A first-principles prediction

X. Zu, Yungang Zhou, Fei Gao, 2009 .

Electronic Structure Calculations of A 2 Ti 2 O 7 ( A = Dy , Ho , and Y )

H. Xiao, 2015 .

Zirconate pyrochlores under high pressure.

W. Weber, R. Ewing, M. Lang, 2010, Physical chemistry chemical physics : PCCP.

ADSORPTION OF Li ON Mo(110) SURFACE: A FIRST-PRINCIPLES STUDY

X. Zu, J. Nie, Y. Zhou, 2009 .

First-principles study of sulfur adsorption on Mo(110)

X. Zu, J. Nie, Y. Zhou, 2008 .

First-principles study of Sn adsorption on Ni(1 0 0), (1 1 0) and (1 1 1) surfaces

X. Zu, D. F. Li, H. Xiao, 2007 .

Atomic and electronic structures of the Rb-C(100) chemisorption system

X. Zu, Fei Gao, J. Nie, 2006 .

First principles calculations on Na and K-adsorbed diamond(100) surface

X. Zu, Fei Gao, J. Nie, 2006 .

Band-Gap Reduction in (BiCrO 3 ) m /(BiFeO 3 ) n Superlattices: Designing New Low-Band-Gap Ferroelectrics

Li, L. Martin, D. Singh, 2020 .

Band-Gap Reduction in Superlattices: Designing Low-Band-Gap Ferroelectrics

L. Martin, D. Singh, S. Zhang, 2018 .

Up-conversion photoluminescence and temperature sensing properties of Er3+-doped Bi4Ti3O12 nanoparticles with good water-resistance performance

T. Wei, Y. Zhao, Fengming Yang, 2016 .

Structure and upconversion analyses of Er3+-doped Ba6Ti2Nb8O30–Sr6Ti2Nb8O30 solid solutions

T. Wei, Chunqing Zhao, Z. Dong, 2015 .

Highly sensitive and broadband photodetectors based on WSe2/MoS2 heterostructures with van der Waals contact electrodes

Huanyu Cheng, Junxiong Guo, Jia Zhu, 2022, Applied Physics Letters.

Atomic and electronic structures of rubidium adsorption on Si(001)(2 x 1) surface: Comparison with Cs/Si(001) surface

X. Zu, Yanfeng Zhang, Fei Gao, 2006 .

First-principles study of the adsorption of cesium on Si(001)(2×1) surface

X. Zu, L. Yang, Y. Zhang, 2005 .

Coexistence of epitaxial lattice rotation and twinning tilt induced by surface symmetry mismatch

W. Weber, M. Biegalski, L. Qiao, 2014 .

First-principles study of hydrogen adsorption on Mo(110)

X. Zu, J. Nie, Y. Zhou, 2008 .

Electronic structure andp-type conduction mechanism of spinel cobaltite oxide thin films

W. Han, L. Chen, D. Qi, 2019, Physical Review B.

Hydrogen adsorption, dissociation and diffusion on the α-U(001) surface

X. Zu, J. Nie, F. Gao, 2008 .

Computer simulation study of defect formation and migration energy in calcium fluoride

L. Wang, Kun-Dar Li, H. Xiao, 2008 .

Effects of doping Yb3+, La3+, Ti4+, Hf4+, Ce4+ cations on the mechanical properties, thermal conductivity, and electronic structures of Gd2Zr2O7

X. Bai, F. Zhao, Zijiang Liu, 2019, Journal of Alloys and Compounds.

Effects of Nd doping on the mechanical properties and electronic structures of Gd2Zr2O7: a first-principles-based study

X. Zu, X. Bai, F. Zhao, 2018, Journal of Materials Science.

Band-Gap Reduction in (BiCrO3)m/(BiFeO3)n Superlattices: Designing Low-Band-Gap Ferroelectrics

X. Zu, Sean Li, L. Martin, 2018, Physical Review Applied.

APPLIED 10 , 044004 ( 2018 ) BandGap Reduction in ( BiCrO 3 ) m / ( BiFeO 3 ) n Superlattices : Designing Low-BandGap Ferroelectrics

X. Zu, L. Martin, L. Qiao, 2018 .

First-principles calculation of structural and energetic properties for A_2Ti_2O_7 (A = Lu, Er, Y, Gd, Sm, Nd, La)

X. Zu, W. Weber, Zuoxiang Zhang, 2009 .

Oxygen vacancy formation and migration in Ce(x)Th(1-x)O2 solid solution.

W. J. Weber, W. Weber, H. Xiao, 2011, The journal of physical chemistry. B.

Electronic excitation induced amorphization in titanate pyrochlores: an ab initio molecular dynamics study

W. J. Weber, X. Zu, W. Weber, 2015, Scientific Reports.

Pressure induced structural transformation in Gd2Ti2O7 and Gd2Zr2O7

W. Weber, H. Y. Xiao, H. Xiao, 2011, Journal of physics. Condensed matter : an Institute of Physics journal.

Threshold displacement energies and defect formation energies in Y2Ti2O7

W. J. Weber, W. Weber, F. Gao, 2010, Journal of physics. Condensed matter : an Institute of Physics journal.

First-principles calculation of defect formation energies and electronic properties in stannate pyrochlores

X. Zu, Haiyan Xiao, Z. J. Chen, 2008 .

First-principles study of energetic and electronic properties of A2Ti2O7 (A=Sm, Gd, Er) pyrochlore

X. Zu, W. Weber, Haiyan Xiao, 2008 .

Theoretical investigation of structural, energetic and electronic properties of titanate pyrochlores

X. Zu, R. Ewing, J. Lian, 2007 .

Impact of isovalent and aliovalent substitution on the mechanical and thermal properties of Gd2Zr2O7

X. Zu, H. Y. Xiao, M. Jiang, 2017, Scientific Reports.

Electronic Structure Calculations of A2Ti2O7 (A = Dy, Ho, and Y)

H. Y. Xiao, H. Xiao, 2013 .

A comparative study of low energy radiation responses of SiC, TiC and ZrC

X. Zu, C. Xu, Haibin Zhang, 2016 .

A comparative study of the mechanical and thermal properties of defective ZrC, TiC and SiC

X. Zu, Junjie Zheng, M. Jiang, 2017, Scientific Reports.

Elucidating the electronic structure of CuWO4 thin films for enhanced photoelectrochemical water splitting

J. Hofmann, E. Hensen, D. Qi, 2019, Journal of Materials Chemistry A.

Ab initio molecular dynamics simulations of overlapping recoil events in ThO2

W. Weber, Bin Liu, Y. Zhang, 2013, Journal of physics. Condensed matter : an Institute of Physics journal.

CHEMISORPTIONS OF ATOMIC OXYGEN AND ITS REPLACEMENT BY HYDROGEN ON THE DIAMOND (100) SURFACE STUDIED BY FIRST PRINCIPLES

Z. G. Wang, X. Zu, J. Nie, 2006 .

First-principles study of the stability and migration of Kr, I and Xe in ZrO2

W. J. Weber, Yanwen Zhang, H. Xiao, 2014 .

Structural and electronic properties of CaS Crystal: A density functional theory investigation

X. Zu, Z. J. Chen, H. Xiao, 2007 .

First-principles study of lithium adsorption on Si(100)2 x 1 and Ge(100)2 x 1 surface at 1.0 monolayer coverage

Z. G. Wang, X. Zu, J. Nie, 2006 .

A DFT+U study of Pu immobilization in Gd2Zr2O7

X. Zu, Haiyan Xiao, M. Jiang, 2015 .

Thermal and mechanical stability, electronic structure and energetic properties of Pu-containing pyrochlores: La2-yPuyZr2O7 and La2Zr2-yPuyO7 (0 ≤ y ≤ 2)

X. Zu, Haiyan Xiao, M. Jiang, 2015 .

Hydrogen adsorption on Ru(001) surface from density-functional periodic calculations

X. Zu, H. Xiao, L. Xu, 2005 .

Adsorption of Na on Ge(001)(2 x 1) surface

X. Zu, H. Xiao, 2006 .

Adsorption of alkali metals on Ge(0 0 1)(2 × 1) surface

X. Zu, Yanfeng Zhang, F. Gao, 2006 .

Sb adsorption on Cu(110), (100), and (111) surfaces

X. Zu, F. Gao, H. Xiao, 2006 .

Adsorption of Li on Cu(110): Density-functional calculations

X. Zu, J. Nie, Y. Zhou, 2009 .

First Principles Study on the Adsorption of Alkali Metal on C(100)( 2×1)

X. Zu, J. Nie, F. Gao, 2007 .

First-principles study of the Ni(1 1 1)(3×3)R30°–Pb surface

X. Zu, D. F. Li, H. Xiao, 2007 .

First-principles study of Sb adsorption on Ag(1 1 0)(2 × 2)

X. Zu, J. Nie, F. Gao, 2006 .

Structural and bonding properties of stannate pyrochlores : A density functional theory investigation

X. Zu, R. Ewing, J. Lian, 2008 .

First principles study of structural phase transition of YSb and ScSb compounds

X. Zu, Z. J. Chen, H. Xiao, 2007 .

First principles study of structural, electronic and optical properties of KCl crystal

X. Zu, Z. J. Chen, H. Xiao, 2006 .

First-principles study of GaP(001) surfaces

X. Zu, D. F. Li, H. Xiao, 2007 .

Ab initio molecular dynamics simulation of low energy radiation responses of α-Al2O3

X. Zu, X. Xiang, M. Jiang, 2017, Scientific Reports.

A comparative study of low energy radiation response of AlAs, GaAs and GaAs/AlAs superlattice and the damage effects on their electronic structures

X. Zu, M. Jiang, Z. J. Liu, 2018, Scientific Reports.

Ab initio molecular dynamics simulation of the effects of stacking faults on the radiation response of 3C-SiC

X. Zu, C. Xu, M. Jiang, 2016, Scientific Reports.

Electronic and magnetic properties of C-doped α-Al2O3 by DFT calculations

X. Zu, X. Xiang, J. Nie, 2015 .

Impact of isovalent and aliovalent substitution on the mechanical and thermal properties of Gd2Zr2O7

X. Zu, M. Jiang, H. B. Zhang, 2017, Scientific Reports.

Ab initio molecular dynamics simulations of threshold displacement energies in SrTiO3

W. J. Weber, Bin Liu, D. Aidhy, 2013, Journal of physics. Condensed matter : an Institute of Physics journal.

First-principles study of indium adsorption on GaP(0 0 1)(2 × 1) surface

X. Zu, D. F. Li, H. Xiao, 2009 .

First-principles study of sulfur passivation of GaP(001) surfaces at one-monolayer coverage

X. Zu, D. F. Li, F. Gao, 2008 .

Stability of S and Se induced reconstructions on GaP(0 0 1)(2×1) surface

X. Zu, F. Gao, Zhi-cheng Guo, 2010 .

Structural and electronic properties of 0.5 ML sulfur adsorbed on the GaP(001) surface

X. Zu, Haiyan Xiao, Z. Wang, 2011 .

Surface adsorption properties of GaP (bar 1bar 1bar 1) studied by XPS, UPS and HREELS

Xingyu Lu, X. Ding, Xun Wang, 1990 .

Effects of surface defects on two-dimensional electron gas at NdAlO3/SrTiO3 interface

X. Zu, X. Xiang, L. Qiao, 2014, Scientific Reports.

Studies on synthesis of boron-doped Gem-diamond single crystals under high temperature and high presure

Y. Zhang, D. M. Zhang, Z. Liang, 2014 .

Defect production and formation of helium–vacancy clusters due to cascades in α-iron

X. Zu, Li Yang, H. Heinisch, 2007 .

Stability of Helium Clusters during Displacement Cascades

X. Zu, Zhiguo Wang, Fei Gao, 2007 .

Temperature effects on He bubbles production due to cascades in α-iron

X. Zu, Li Yang, H. Heinisch, 2006 .

Atomistic simulation of helium-defect interaction in alpha-iron

X. Zu, Li Yang, H. Heinisch, 2006 .

Electronic and magnetic properties of metal-doped BN sheet: A first-principles study.

X. Zu, J. Xiao-dong, F. Gao, 2010, Physical chemistry chemical physics : PCCP.

Oxygen-induced magnetic properties and metallic behavior of a BN sheet

X. Zu, F. Gao, Y. Zhou, 2010, Journal of physics. Condensed matter : an Institute of Physics journal.

Effects of Ag doping on the electronic and optical properties of CdSe quantum dots.

X. Zu, X. Bai, F. Zhao, 2019, Physical chemistry chemical physics : PCCP.

Theoretical prediction of long-range ferromagnetism in transition-metal atom-doped d0 dichalcogenide single layers SnS2 and ZrS2.

X. Zu, L. Ao, A. Pham, 2016, Physical chemistry chemical physics : PCCP.

Effects of stacking periodicity on the electronic and optical properties of GaAs/AlAs superlattice: a first-principles study

X. Zu, L. Qiao, M. Jiang, 2020, Scientific Reports.

Electronic and magnetic properties of C-adsorbed graphene: a first-principles study.

M. Khaleel, X. Zu, Z. Wang, 2011, Physical chemistry chemical physics : PCCP.

Ab initio molecular dynamics simulation of pressure-induced phase transformation in BeO

G. Duan, X. Zu, H. Xiao, 2011 .

First-principles study of H adsorption on and absorption in Cu(111) surface

X. Zu, J. Nie, H. Xiao, 2006 .

Functionalization of a GaSe monolayer by vacancy and chemical element doping.

X. Zu, X. Xiang, L. Ao, 2015, Physical chemistry chemical physics : PCCP.

Structure and properties of rare earth silicates with the apatite structure at high pressure

W. Weber, R. Ewing, Yanwen Zhang, 2013, Physics and Chemistry of Minerals.

A comparative study of low energy radiation response of AlAs, GaAs and GaAs/AlAs superlattice and the damage effects on their electronic structures

X. Zu, G. Yang, M. Jiang, 2018, Scientific Reports.

Ab initio molecular dynamics simulation of structural transformation in zinc blende GaN under high pressure

X. Zu, F. Gao, H. Xiao, 2010 .