发表论文

Publications

共 277 篇
2018
Theoretical study of YFe2Hx (x=0-5): a comparison between cubic and orthorhombic phases
Shurong Yuan,Liuzhang Oyang,Min Zhu,and Yu-Jun Zhao*
J. Mag. Mag. Mat. 460,61(2018) [Link] [PDF]
2018
The Electronic Properties of CH3NH3PbI3 Perovskite Surfaces Tuned by Inverted Polarities of Pyridine and Ethylamine
Tingting Shi,Qiang Teng,Xiao-Bao Yang,Hin-Lap Yip*,and Yu-Jun Zhao*
J. Mater. Chem. C 6,7733(2018). [Link] [PDF]
2018
First-principles study on the stability and magnetoelectric properties of multiferroic materials XTiO3 (X = Mn,Fe,Co,Ni)
Xing-Yuan Chen,Guo-Xia Lai,Di Gu,Wei-Ling Zhu*,Tian-Shu Lai and Yu-Jun Zhao
International J. Mod. Phys. B 32,1850105(2018). [Link]
2018
An Electron Compensation Mechanism for Polymorphism of Boron Monolayers
Shao-Gang Xu+,Xiao-Tian Li+,Yu-Jun Zhao,Ji-Hai Liao,Hu Xu* and Xiao-Bao Yang*
Nanoscale 10,13410(2018). [Link] [PDF]
2018
Ferromagnetic Weyl fermions in CrO2
R. Wang,Y. J. Jin,J. Z. Zhao,Z. J. Chen,Yu-Jun Zhao,and H. Xu*
Phys. Rev. B 97,195157(2018). [Link] [PDF]
2018
Transition Metal doped Smart Glass with Pressure and Temperature Sensitive Luminescence
Shichao Lv,B Shanmugavelu,Yunpeng Wang,Qiannan Mao,Yu-Jun Zhao,Yongze Yu,Jianhua Hao,Qinyuan Zhang,Jianrong Qiu,and Shifeng Zhou*
Adv. Opt. Mater. 1800881(2018). [Link] [PDF]
2018
Full Quantum Dynamics Simulation of a Realistic Molecular System Using the Adaptive Time-Dependent Density Matrix Renormalization Group Method
Yao Yao,Ke-Wei Sun,Zhen Luo,Haibo Ma*
J. Phys. Chem. Lett. 9,413(2018). [Link] [PDF]
2018
Ternary Blend Strategy for Achieving High-Efficiency Organic Solar Cells with Nonfullerene Acceptors Involved
Xiaoyu Liu,Yajie Yan,Yao Yao*,and Ziqi Liang*
Adv. Funct. Mater. 28,1802004(2018). [Link] [PDF]
2018
Establishing a microscopic model for nonfullerene organic solar cells: Self-accumulation effect of charges
Yao Yao
J. Chem. Phys. 149,194902(2018). [Link] [PDF]
2018
Optimum driving energy for achieving balanced open-circuit voltage and short-circuit current density in organic bulk heterojunction solar cells
Wenchao Yang*,Yao Yao,Pengfei Guo,Haibin Sun,and Yongsong Luo*
Phys. Chem. Chem. Phys. 20,29866(2018). [Link] [PDF]
2018
General rules of the sub-band gaps in group-IV (Si,Ge,and Sn)-doped I-III-VI2-type chalcopyrite compounds for intermediate band solar cell: A first-principles study
Dan Huang,Jing-Wen Jiang,Jin Guo,Yu-Jun Zhao*,Rongzhen Chen,and Clas Persson*
Mater. Sci. Eng. B 236-237,147(2018). [Link] [PDF]
2018
Large-gap quantum anomalous Hall phase in hexagonal organometallic frameworks
Yuanjun Jin,Zhongjia Chen,Bowen Xia,Yu-Jun Zhao,Rui Wang*,Hu Xu*
Phys. Rev. B 98,245127(2018). [Link] [PDF]
2018
Ideal intersecting nodal-ring phonons in bcc C8
Y.J. Jin,Z.J. Chen,B.W. Xia,Yu-Jun Zhao,R. Wang*,Hu Xu*
Phys. Rev. B 98,22103(R)(2018). [Link] [PDF]
2018
Achieving the dehydriding reversibility and elevating the equilibrium pressure of YFe2 alloy by partial Y substitution with Zr
HL Pang,ZM Li,C Zhou,H. Wang,LZ Ouyang,SR Yuan,Yu-Jun Zhao,M. Zhu*
Int. J. Hydrogen Energy 43,14541(2018). [Link] [PDF]
2017
Gap maximum of graphene nanoflakes: a first-principles study combined with the Monte Carlo tree search method
Zhi-Peng Cao,Yu-Jun Zhao,Ji-Hai Liao,Xiao-Bao Yang*
RSC Advance 7,37881(2017). [Link] [PDF]
2017
High Performance Color-Tunable Perovskite Light Emitting Devices through Structural Modulation from Bulk to Layered Film
Ziming Chen,Chongyang Zhang,Xiao-Fang Jiang,Meiyue Liu,Ruoxi Xia,Tingting Shi,Dongcheng Chen,QifanXue,Yu-Jun Zhao,Shijian Su,Hin-Lap Yip*,Yong Cao
Advanced Materials 29,1603157(2017). [Link] [PDF]
2017
The role of oxygen defects in a bismuth doped ScVO4 matrix: tuning luminescence by hydrogen treatment
Hai-Shan Zhang,Feng-Wen Kang,Yu-Jun Zhao,Ming-Ying Peng,and Xiao-Bao Yang*
J. Mater. Chem. C 5,314(2017). [Link] [PDF]
2017
Minimum Vertex-type Sequence Indexing for Clusters on Square Lattice
Longguang Liao,Yu-Jun Zhao,ZeXian Cao,and Xiao-Bao Yang*
Sci. Reports 7,392(2017). [Link] [PDF]
2017
Polaronic quantum diffusion in dynamic localization regime
Yao Yao
New J. Phys. 19,043015(2017). [Link] [PDF]
2017
Leakage Current Induced by Energetic Disorder in Organic Bulk Heterojunction Solar Cells: Comprehending the Ultrahigh Loss of Open-Circuit Voltage at Low Temperatures
Wenchao Yang,Yongsong Luo,Pengfei Guo,Haibin Sun,and Yao Yao*
Phys. Rev. Appl. 7,044017(2017). [Link] [PDF]
2017
Geometrical Eigen-subspace Framework Based Molecular Conformation Representation for Efficient Structure Recognition and Comparison
Xiao-Tian Li,Xiao-Bao Yang,and Yu-Jun Zhao*
J. Chem. Phys. 146,154108(2017). [Link] [PDF]
2017
Group IV (Si,Ge,and Sn)-Doped AgAlTe2 for Intermediate Band Solar Cell from First-principles Study
Dan Huang,Jing-Wen Jiang,Jin Guo,Yu-Jun Zhao*,Rongzhen Chen,Clas Persson*
Semicond. Sci. Technol. 32,065007(2017). [Link] [PDF]
2017
Stable sandwich structures of two-dimensional FeBx alloy: A first-principles calculation
Shao-Gang Xu,Yu-Jun Zhao,Xiao-Bao Yang*,and Hu Xu*
RSC Advances 7,30320(2017). [Link] [PDF]
2017
Monte-Carlo tree search for stable structures of planar clusters
Chang-Chun He,Ji-Hai Liao,Xiao-Bao Yang*
Acta Phys. Sin. 66,163601(2017) (in Chinese). [Link] [PDF]
2017
A practical criterion for screening stable boron nanostructures
Shao-Gang Xu,Yu-Jun Zhao,Xiao-Bao Yang*,and Hu Xu*
J. Phys. Chem. C 121,11950(2017). [Link] [PDF]
2017
Difficulty of long-standing n-type conductivity in equilibrium and non-equilibrium Gamma-CuCl: a first-principles study
Dan Huang,Jingwen Jiang,Jinpeng Xu,Yu-Jun Zhao*,Biaolin Peng,and Jin Guo*
Phys. Lett. A 381,2743(2017) [Link] [PDF]
2017
First-Principles Calculations of Quantum Efficiency for Point Defects in Semiconductors: The Example of Yellow Luminance by GaN: CN+ON and GaN:CN
Hai-Shan Zhang,Lin Shi*,Xiao-Bao Yang,Yu-Jun Zhao,Ke Xu,and Lin-Wang Wang*
Adv. Optical Mater. 5,1700404(2017). [Link] [PDF]
2017
The time-dependent density matrix renormalisation group method
Haibo Ma*,Zhen Luo,Yao Yao*
Molecular Physics (2017). [Link] [PDF]
2017
An intrinsic representation of atomic structure: from clusters to periodic systems
Xiao-Tian Li,Shao-Gang Xu,Xiao-Bao Yang,and Yu-Jun Zhao*
J. Chem. Phys. 147,144106(2017). [Link] [PDF]
2017
Highly Efficient and Stable Narrow-Band Red Phosphor Cs2SiF6:Mn4+ for High-Power Warm White LED Applications
Enhai Song,Yayun Zhou,Xiao-Bao Yang*,Zifeng Liao,Weiren Zhao,Tingting Deng,Lingyan Wang,Yanyan Ma,Shi Ye ,and Qinyuan Zhang*
ACS Photonics 4,2556(2017). [Link] [PDF]