发表论文

Publications

共 278 篇
2014
An efficient algorithm for spatially-correlated random fields generation and its applications on the two-phase material
Xin-Wei Tang,Xiao-Bao Yang*,and Yuan-De Zhou
Solid State Comm. 182,30(2014). [Link] [PDF]
2014
A systematic first-principles study of surface energies,surface relaxation and Friedel oscillation of magnesium surfaces
Jia-Jun Tang,Xiaobao Yang,LiuZhang OuYang,Min Zhu,Yu-Jun Zhao*
J. Phys. D: Appl. Phys. 47,115305(2014). [Link] [PDF]
2014
First-principles prediction of a promising p-type transparent conductive material CsGeCl3
Dan Huang*,Yu-Jun Zhao*,Zhi-Ping Ju,Li-Yong Gan,Xin-Man Chen,Chang-Sheng Li,and Jin Guo
Appl. Phys. Express 7,041201(2014). [Link] [PDF]
2014
Symbiotic CeH2.73/CeO2 Catalyst: a Novel Hydrogen Pump
Huai-Jun Lin,Jia-Jun Tang,Qian Yu*,Hui Wang,Liu-Zhang Ouyang,Yu-Jun Zhao,Jiang-Wen Liu,Wei-Hua Wang*,and Min Zhu*
Nano Energy 9,80(2014). [Link] [PDF]
2014
Gd3B(W,Mo)O9:Eu3+ red phosphor: From structure design to photoluminescence behavior and near-UV White-LEDs performance
Shuangli Dong,Shi Ye,Linli Wang,Xingyuan Chen,Shaobei Yang,Yu-Jun Zhao,Jiaguo Wang,Xiping Jing,and Qinyuan Zhang
J. Alloys Comp. 610,402(2014). [Link] [PDF]
2014
Tuning p/n conductivity in wurtzite transition metal monoxide: role of native defects in CoO and MnO
Jian-Ming Wu,Li-Juan Chen,Xiao-Bao Yang,and Yu-Jun Zhao*
Phys. Lett. A 378,2635(2014). [Link] [PDF]
2014
Theoretical study of stability and electronic structure of the new type of ferroelectric materials XSnO3 (X=Mn,Zn,Fe,Mg)
Wei-Ling Zhu,Xing-Yuan Chen*,Yu-Jun Zhao,and Tian-Shu Lai
Int. J. Mod. Phys. B 28,1450224(2014). [Link] [PDF]
2014
Theoretical Studies of Geometry Asymmetry in Tellurium Nanostructures: Intrinsic Dipole,Charge Separation and Semiconductor-Metal Transition
Yan-Mei Tan,Yu-Jun Zhao,Lin-Bao Luo,Xiao-Bao Yang*,and Hu Xu*
RSC Advances 4,22004(2014). [Link] [PDF]
2014
Order-disorder phase transition in the two-dimensional semiconducting transitidichalcogenide alloys Mo1-xWxX2 (X = S,Se,and Te)
Liyong Gan,Qingyun Zhang,Yu-Jun Zhao,Yingchun Cheng,and Udo Schwingenschlogl*
Scientific Reports 4,6691(2014). [Link] [PDF]
2014
H-bond Interaction Enhanced Dissociation of H2O on Si(100)-(2��1)
Xiang Huang,Ren-Yu Tian,Xiao-Bao Yang,and Yu-Jun Zhao*
J. Phys. Chem. C 118,24603(2014) [Link] [PDF]
2014
Modeling and stabilities of Mg/MgH2 interfaces: A first-principles investigation
JiaJun Tang,Xiao-Bao Yang,Lijuan Chen,and Yu-Jun Zhao*
AIP advance 4,077101(2014). [Link] [PDF]
2013
First-principles analysis of MoS2/Ti2C and MoS2/Ti2CY2 (Y=F and OH) all-2D semiconductor/metal contacts
Li-Yong Gan,Yu-Jun Zhao,Dan Huang,and Udo Schwingenschlogl*
Phys. Rev. B 87,245307(2013). [Link] [PDF]
2013
First-Principles Study of the Formation and Migration of Native Defects in LiNH2BH3
Xiaowei Chen,Yu-Jun Zhao,Xuebin Yu*
Phys. Chem. Chem. Phys. 15,893-900(2013). [Link] [PDF]
2013
Theoretical study of structural stabilities of BiXO3 (X=Cr,Mn,Fe,Ni)
Zui-Fen Luo,Xing-Yuan Chen,Shi-Yuan Lin,and Yu-Jun Zhao*
Acta Phys. Sin. (in Chinese) 62,053102(2013). [Link] [PDF]
2013
Structural stability of Cr-related defect complex in diamond for single photon sources: A first-principles study
Rong Liu,Ren-Yu Tian,and Yu-Jun Zhao*
J. Appl. Phys. 113,103516(2013). [Link] [PDF]
2013
Magnetoelectric property of A- or B- site doped PbVO3 films: A First-Principles Study
Xing-Yuan Chen,Li-Juan Chen,and Yu-Jun Zhao*
Chinese Phys. B 22 087703(2013). [Link] [PDF]
2013
Theoretical study of structural stabilities and magnetic properties of doped transition metals in MnTe vs ZnTe and CdTe: Reduced clustering trend and enhanced magnetic coupling
Jian-Ming Wu,Xing-Yuan Chen,Shi-Yuan Lin,and Yu-Jun Zhao*
J. Appl. Phys. 114,083905(2013). [Link] [PDF]
2013
The structure,magnetism and conductivity of Li3V2(PO4)3: A theoretical and experimental study
Zhi-Ping Lin*,Yu-Jun Zhao,and Yan-Ming Zhao
Modern Phys. Lett. B 27,1350199(2013). [Link] [PDF]
2013
First-principles study on the stability of BiTiO3 and BiVO3
Zui-Fen Luo,Xing-Yuan Chen,Jia-Jun Tang,Shi-Yuan Lin,Meng-Hui Fan,and Yu-Jun Zhao*
J. Synth. Cryst. (in Chinese) 42,2188(2013). [Link] [PDF]
2013
Structural stabilities' modulation of SixGe1-x nanowries with the passivants: controllable diameter,shape and tunable electronic properties
Xiao-Bao Yang*,Yu-Jun Zhao,and Hu Xu*
J. Chem. Phys. 139,154713 (2013). [Link] [PDF]
2013
Influences of strain on electronic structure and magnetic properties of CoFe2O4 from first-principles study
You-Lin Huang,Yu-Hua Hou*,Yu-Jun Zhao,Zhong-Wu Liu,De-Chang Zeng,and Sheng-Can Ma
Acta Phys. Sin. (in Chinese) 62,167502(2013). [Link] [PDF]
2012
First-principles study of gamma-CuI for p-type transparent conducting material
Dan Huang*,Yu-Jun Zhao,Shen Li,C.-S. Li,J.-J. Nie,X.-H. Cai,and C.-Mei Yao
J. Phys. D: Appl. Phys 45,145102(2012). [Link] [PDF]
2012
First-principles study of the structural,magnetic,and electronic properties of LiMBO3 (M=Mn,Fe,Co)
Zhi-ping Lin,Yu-Jun Zhao,Yan-Ming Zhao*
Phys. Lett. A 376,179(2012). [Link] [PDF]
2012
Stability of Transition Metals on Mg(0001) Surface and Its effect on Hydrogen Adsorption
Ming Chen,Xiao-Bao Yang,Jie Cui,Jia-Jun Tang,Li-Yong Gan,Min Zhu,and Yu-Jun Zhao*
Int. J. Hydrogen Energy 37,309(2012). [Link] [PDF]
2012
Tuning the polarization and magnetism in BiCoO3 by strain and oxygen vacancy effect: a first-principle study
Xing-Yuan Chen,Li-Juan Chen,Xiao-Bao Yang,and Yu-Jun Zhao*,Hang-Chen Ding,and Chun-Gang Duan
J. Appl. Phys. 111,013901(2012). [Link] [PDF]
2012
Catalytic reactivity of CuNi alloys towards H2O and CO dissociation for an efficient water gas shift: a DFT study
Li-Yong Gan,Ren-Yu Tian,Xiao-Bao Yang,Hongduo Lu,and Yu-Jun Zhao*
J. Phys. Chem. C 116,745(2012). [Link] [PDF]
2012
Surface structure and phase transition of K adsorption on Au(111) by ab initio atomistic thermodynamics
Li-Yong Gan,Ren-Yu Tian,Xiao-Bao Yang,and Yu-Jun Zhao*
J. Chem. Phys. 136,044510(2012). [Link] [PDF]
2012
Theoretical Study of Hydrogen Dissociation and Diffusion on Nb and Ni co-doped Mg(0001): A Synergistic Effect
Ming Chen,Z.Z. Cai,Xiao-Bao Yang,Min Zhu,and Yu-Jun Zhao*
Surf. Sci. 13-14,L45(2012). [Link] [PDF]
2012
First-principles prediction of a new class of photovoltaic materials: I-III-IV2-V4 phosphides
Jiahong Ma,Shiyuan Lin,Guanghan Fan*,Guangrui Yao,and Yu-Jun Zhao*
J. Appl. Phys. 112,053102(2012) . [Link] [PDF]
2012
First-Principles Study of Biaxial Strain Effect on Hydrogen Adsorbed Mg (0001) Surface
Jia-Jun Tang,Xiao-Bao Yang,Ming Chen,Min Zhu,and Yu-Jun Zhao*
J. Phys. Chem. C 116,14943(2012). [Link] [PDF]