发表论文

Publications

共 278 篇
2020
Gate-Tuned Interlayer Coupling in van der Waals Ferromagnet Fe3GeTe2 Nanoflakes
Guolin Zheng,‡ Wen-Qiang Xie,‡ Sultan Albarakati,‡ Meri Algarni, Cheng Tan,Yihao Wang, Jingyang Peng, James Partridge, Lawrence Farrar, Jiabao Yi, Yimin Xiong, Mingliang Tian, Yu-Jun Zhao,* and Lan Wang,†
Phys. Rev. Lett. 125, 047202 (2020) [Link] [PDF]
2020
Unexpected bowing band evolution in an allinorganic CsSn1-xPbxBr3 perovskite
Yufan Xia,‡ Yuxuan Chen,‡ Tian Luo, Hongyao Liang, Yujia Gao, Xin Xu, Weiguang Xie, Pengyi Liu, Xin Wang, Yu-Jun Zhao * and Tingting Shi*
RSC Advances 2020, 10, 26407 [Link] [PDF]
2020
Theoretical study of enhanced ferromagnetism and tunable magnetic anisotropy of monolayer CrI3by surface adsorption
Qin-Fang Xu, Wen-Qiang Xie, Zhi-Wei Lu, Yu-Jun Zhao*
Physics Letters A 384(2020) 126754 [Link] [PDF]
2020
Theoretical investigation of V2xFe2(1-x)Zr and ScxY1-xFe2 (0<x<1) quasi-binary alloy: Stable structures, mechanical and electronical properties
Yong-Lin Jiang, Yu-Zhu Chen, Hui Wang, Xiao-Bao Yang*
Physics Letters A 384(26), 2020, 126658 [Link] [PDF]
2020
Structural stabilities and optical properties of SixGeyHz nanocrystals
Shao-Bin Qiu, Ya-Ting Wang, Chang-Chun He, Xiao-Lin Deng, Xiao-Bao Yang*
Physics Letters A 384(25), 2020, 126597 [Link] [PDF]
2019
First-principles study of Aziridinium Lead Iodide Perovskite for Photovoltaics
Qiang Teng,Tingting Shi,and Yu-Jun Zhao*
ChemPhysChem 20,602(2019). [Link] [PDF]
2019
Ideal Nodal Line Semimetal in a Two-Dimensional Boron Bilayer
Shao-Gang Xu,Baobing Zheng,Hu Xu*,and Xiao-Bao Yang*
J. Phys. Chem. C 123,4977(2019). [Link] [PDF]
2019
Robust Twin Pairs of Weyl Fermions in Ferromagnetic Oxides
B.W. Xia,Y. J. Jin,J. Z. Zhao,Z. J. Chen,B. B. Zheng,Yu-Jun Zhao,R. Wang*,and H. Xu*
Phys. Rev. Lett. 122,057205(2019). [Link] [PDF]
2019
Ideal half-filled intermediate band position in CuGaS2 generated by Sb-related defect complex: A first-principles study
Dan Huang,Yang Xue,Wentong Zhou,Jingwen Jiang,Hua Ning,Jin Guo,Yu-Jun Zhao*,Rongzhen Chen,and Clas Persson*
Appl. Phys. Express 12,021002(2019). [Link] [PDF]
2019
Ultrafast hole transfer mediated by polaron pairs in all-polymer photovoltaic blends
Rui Wang+,Yao Yao+,Chunfeng Zhang*,Yindong Zhang,Haijun Bin,Lingwei Xue Zhi-Guo Zhang*,Xiaoyu Xie,Haibo Ma,Xiaoyong Wang,Yongfang Li,and Min Xiao*
Nat. Comm. 10,398(2019). [Link] [PDF]
2019
Hydrogen adsorption,dissociation,and diffusion on high-index Mg(10-13)and their comparisons with Mg(0001): A systematic first-principles study
Jia-Hui Ye,Yu-Jun Zhao,Yan-Xiong Fang,Huai-Jun Lin,Lei Bai,and Jia-Jun Tang*
Int. J. Hydrogen Energy 44,4897(2019). [Link] [PDF]
2019
Mg-X (X= Ni,Pd,Ti,Nb) interface and atomic mixture effect: A first-principles study
Yanan Wu,Xiaotian Li,Zhongjia Chen,Jusong Yu,Shaobin Qiu,Xiao-Bao Yang,and Yu-Jun Zhao*
Mater. Res. Express 6,016305(2019). [Link] [PDF]
2019
Unveiling Excitonic Dynamics in High-Efficiency Nonfullerene Organic Solar Cells to Direct Morphological Optimization for Suppressing Charge Recombination
Xiaoyu Liu,Yajie Yan,Alireza Honarfar,Yao Yao,Kaibo Zheng*,and Ziqi Liang*
Adv. Sci. 201802103(2019). [Link] [PDF]
2019
Charge-transfer state dynamics in all-polymer solar cells: formation,dissociation and decoerence
Jiaqing Huang,Yijie Mo,and Yao Yao*
Phys. Chem. Chem. Phys. 21,2755(2019). [Link] [PDF]
2019
Transition metal substitution on Mg(10-13) and Mg(0001) surfaces for improved hydrogenation and dehydrogenation: A systematic first-principles study
Jia-Jun Tang*,Jia-Hui Ye,Yan-Xiong Fang,and Yu-Jun Zhao*
Appl. Surf. Sci. 479,626(2019). [Link] [PDF]
2019
Theoretical Study of M-H (M=Ti,V,Zr or Nb) Structure Phase Diagram at High Pressures
Xue-Yu Zhao,Xiao-Bao Yang,Liuzhang Ouyang,Yu-Jun Zhao*
Int. J. Hydrogen Energy 44,13592(2019). [Link] [PDF]
2019
Role of intrinsic defects on the persistent luminescence of pristine and Mn doped ZnGa2O4
Yun-Peng Wang,Hai-Shan Zhang,Li-Ting Lin,Shi-Feng Zhou,Yao Yao,Xiao-Bao Yang,and Yu-Jun Zhao*
J. Appl. Phys. 125,095701(2019). [Link] [PDF]
2019
Tunable ferromagnetic Weyl fermions from a hybrid nodal ring
Baobing Zheng, Bowen Xia1, Rui Wang, Jinzhu Zhao, Zhongjia Chen, Yujun Zhao and Hu Xu*
npj Computational Materials 5,74(2019). [Link] [PDF]
2019
Coordination Geometry Engineering in a Doped Disordered Matrix for Tunable Optical Response
Liting Lin,Yunpeng Wang, Bijiao Lan, Jiejie Chen, Shichao Lv, Yujun Zhao, Haohai Yu,Jianhua Hao, Qinyuan Zhang, Zhongmin Yang, Huaijin Zhang,Jiyang Wang,Jianrong Qiu and Shifeng Zhou
J. Phys. Chem. C 123, 29343−29352(2019). [Link] [PDF]
2019
Insights into the unusual semiconducting behavior in low-dimensional boron
Shao-Gang Xu+,Xiao-Tian Li+,Yu-Jun Zhao,Wang-Ping Xu,Ji-Hai Liao,Xiu-Wen Zhang,Hu Xu*,and Xiao-Bao Yang*
Nanoscale 11,7866(2019). [Link] [PDF]
2019
Rational Design Principles of the Quantum Anomalous Hall Effect in Superlatticelike Magnetic Topological Insulators
Hongyi Sun, Bowen Xia, Zhongjia Chen, Yingjie Zhang, Pengfei Liu, Qiushi Yao, Hong Tang, Yujun Zhao, Hu Xu and Qihang Liu*
Phys. Rev. Lett. 123,096401(2019). [Link] [PDF]
2019
Pressureless Crystallization of Glass for Transparent Nanoceramics
Shaofei Wen, Yunpeng Wang, Bijiao Lan, Weida Zhang, Zhuo Shi, Shichao Lv, Yujun Zhao,Jianrong Qiu, and Shifeng Zhou*
Adv. Sci. 6,1901096(2019). [Link] [PDF]
2019
Sn-C and Se-C co-bonding SnSe/few-layer graphene micro-nano structure: A route to a densely compacted and durable anode for lithium/sodium-ion batteries
Deliang Cheng, Lichun Yang, Renzong Hu, Jiangwen Liu, Renchao Che, Jie Cui, Yanan Wu, Wanyu Chen, Jian ling Huang, Min Zhu*, and Yu-Jun Zhao*
ACS Appl. Mater. Interfaces 11,36685−36696(2019). [Link] [PDF]
2019
Understanding the Decomposition Mechanisms of LiNH2, Mg(NH2)2 and NaNH2: A Joint Experimental and Theoret ical Study
Huai-Jun Lin*, Peng Zhang, Yan-Xiong Fang, Yu-Jun Zhao, Haichang Zhong, and Jia-Jun Tang*
J. Phys. Chem. C 123,18180−18186(2019) [Link] [PDF]
2019
Theoretical investigations on stable structures of C60-nNn (n=2~12): symmetry,model interaction,global optimization
Yun-Hua Cheng,Ji-Hai Liao,Yu-Jun Zhao,Jun Ni and Xiao-Bao Yang*
Carbon 140-149, 154(2019). [Link] [PDF]
2019
Antisymmetric magnetoresistance in van der Waals Fe3GeTe2/graphite/Fe3GeTe2 trilayer heterostructures
S. Albarakati+,Cheng Tan+,Zhong-Jia Chen+,J. G. Partridge,G. Zheng,L. Farrar,E. L. H. Mayes,M. R. Field1,Changgu Lee,Yihao Wang,Yiming Xiong,Mingliang Tian,Feixiang Xiang,A. R. Hamilton,O. A. Tretiakov,D. Culcer*,Yu-Jun Zhao*,Lan Wang*
Science Advances 5, 7, eaaw0409 (2019). [Link] [PDF]
2019
Influence of Ca adsorption on the heterogeneous nucleation of alpha-Mg on Al4C3 particles: First-principles calculation and experiment
Shu-Qing Yang,Cheng-Bo Li,Jun Du*,Yu-Jun Zhao*
Appl. Surf. Sci. 491,187(2019). [Link] [PDF]
2018
Reverse Saturable Absorption Induced by Phonon-Assisted Anti-Stokes Processes
Xiangling Tian,Rongfei Wei,Qianyi Guo,Yu-Jun Zhao,Jianrong Qiu*
Adv. Mater. 30,1801638(2018). [Link] [PDF]
2018
Role of Organic Cations on Hybrid Halide Perovskite CH3NH3PbI3 Surfaces
Qiang Teng,Ting-Ting Shi,Ren-Yu Tian,Xiao-Bao Yang,Yu-Jun Zhao*
J. Solid State Chem. 258,488(2018). [Link] [PDF]
2018
Theoretical investigations on diamondoids (C_n H_m,n=10~41):nomenclature,structural stabilities,and gap distributions
Ya-Ting Wang,Yu-Jun Zhao,Ji-Hai Liao,Xiao-Bao Yang*
J. Chem. Phys. 148,014306(2018). [Link] [PDF]