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1.Ping Chen, Jinbo Pan, Wenchao Gao, Bensong Wan, Xianghua Kong, Yang Cheng, Kaihui Liu, Shixuan Du, Wei Ji, Caofeng Pan, Zhong Lin Wang
"Anisotropic Carrier Mobility from 2H WSe2"
Advanced Materials 2108615 (2021).1
 
2.Lei Tao, Yu‐yang Zhang, Shixuan Du
"Structures and electronic properties of functional molecules on metal substrates: From single molecule to self‐assemblies"
WIREs Comput Mol Sci. e1591 (2021).1
 
3.Ningqiang Zhang, Xinxin Zhang, Lei Tao, Peng Jiang, Chenliang Ye, Rui Lin, Zhiwei Huang, Ang Li, Dawei Pang, Han Yan, Yu Wang, Peng Xu, Sufeng An, Qinghua Zhang, Licheng Liu, Shixuan Du, Xiaodong Han, Dingsheng Wang, Yadong Li
"Silver Single‐Atom Catalyst for Efficient Electrochemical CO2 Reduction Synthesized from Thermal Transformation and Surface Reconstruction"
Angew. Chem. Int. Ed. 60, 6170-6176 (2021).1
 
4.Yubin Fu, Xiao Chang, Huan Yang, Evgenia Dmitrieva, Yixuan Gao, Ji Ma, Li Huang, Junzhi Liu, Hongliang Lu, Zhihai Cheng, Shixuan Du, Hong-Jun Gao, Xinliang Feng
"NBN‐Doped Bis‐Tetracene and Peri‐Tetracene: Synthesis and Characterization"
Angew. Chem. Int. Ed. 60, 50,26115-26121 (2021).1
 
5.Yang Song, Kai Qian, Lei Tao, Zhenyu Wang, Hui Guo, Hui Chen, Shuai Zhang, Yu-Yang Zhang, Xiao Lin, Sokrates T. Pantelides, Shixuan Du, Hong-Jun Gao
"Intrinsically Honeycomb-Patterned Hydrogenated Graphene"
Small 2102687 (2021).1
 
6.Peng Fan, Fazhi Yang, Guojian Qian, Hui Chen, Yu-Yang Zhang, Geng Li, Zihao Huang, Yuqing Xing, Lingyuan Kong, Wenyao Liu, Kun Jiang, Chengmin Shen, Shixuan Du, John Schneeloch, Ruidan Zhong, Genda Gu, Ziqiang Wang, Hong Ding, Hong-Jun Gao
"Observation of magnetic adatom-induced Majorana vortex and its hybridization with field-induced Majorana vortex in an iron-based superconductor"
Nat. Comm. 12, 1348 (2021).1
 
7.Lingyuan Kong, Lu Cao, Shiyu Zhu, Micha? Papaj, Guangyang Dai, Geng Li, Peng Fan, Wenyao Liu, Fazhi Yang, Xiancheng Wang, Shixuan Du, Changqing Jin, Liang Fu, Hong-Jun Gao, Hong Ding
"Majorana zero modes in impurity-assisted vortex of LiFeAs superconductor"
Nat. Comm. 12, 1,1-11 (2021).1
 
8.Ge Meng, Jiaqiang Sun, Lei Tao, Kaiyue Ji, Pengfei Wang, Yu Wang, Xiaohui Sun, Tingting Cui, Shixuan Du, Jiangang Chen, Dingsheng Wang, Yadong Li
"Ru1Con Single-Atom Alloy for Enhancing Fischer–Tropsch Synthesis"
ACS Catalysis 11 1886-1896 (2021).1
 
9.Juan Zhu, Xiaodong Wu, Jasmine Jan, Shixuan Du, James Evans, Ana C Arias
"Tuning Strain Sensor Performance via Programmed Thin-Film Crack Evolution"
ACS Appl. Mater. Interfaces 13,32,38105-38113 (2021).1
 
10.Jianchen Lu, Lei Gao, Shiru Song, Hang Li, Gefei Niu, Hui Chen, Tian Qian, Hong Ding, Xiao Lin, Shixuan Du, Hong-Jun Gao
"Honeycomb AgSe Monolayer Nanosheets for Studying Two-dimensional Dirac Nodal Line Fermions"
ACS Applied Nano Materials 4, 9, 8845-8850 (2021).1
 
11.Rongting Wu, De-Liang Bao, Linghao Yan, Junhai Ren, Yanfang Zhang, Qi Zheng, Ye-Liang Wang, Qing Huan, Shixuan Du, Hong-Jun Gao
"Construction of poly-naphthalocyanine linked by [4]-radialene-like structures on silver surfaces"
Nano Res. 14 4563–4568 (2021). 1
 
12.Lu Cao, Yang Song, Ya-Bin Liu, Qi Zheng, Guangyuan Han, Wenyao Liu, Meng Li, Hui Chen, Yuqing Xing, Guang-Han Cao, Hong Ding, Xiao Lin, Shixuan Du, Yu-Yang Zhang, Geng Li, Ziqiang Wang, Hong-Jun Gao
"The As-surface of an iron-based superconductor CaKFe4As4"
Nano Res. 14 3921–3925 (2021). 1
 
13.Lei Gao, Yan-Fang Zhang, Shixuan Du
"Semiconducting M2X (M = Cu, Ag, Au; X = S, Se, Te) monolayers: A broad range of band gaps and high carrier mobilities"
Nano Res. 14 2826–2830 (2021). 1
 
14.Xin Jin, Lei Tao, Yu-Yang Zhang, Jinbo Pan, Shixuan Du
"Intrinsically scale-free ferroelectricity in two-dimensional M2X2Y6"
Nano Res. 15, 3704–3710(2021). 1
 
15.Zhipeng Song, Juxia Yi, Jing Qi, Qi Zheng, Zhili Zhu, Lei Tao, Yun Cao, Yan Li, Zhaoyan Gao, Ruizi Zhang, Li Huang, Geng Li, Ziqiang Xu, Xu Wu, Yeliang Wang, Chengmin Shen, Yu-Yang Zhang, Hongliang Lu, Xiao Lin, Shixuan Du, Hong-Jun Gao
"Line defects in monolayer TiSe2 with adsorption of Pt atoms potentially enable excellent catalytic activity"
Nano Res. 15, 4687–4692(2021). 1
 
16.Jianchen Lu, Gefei Niu, Xiao Ren, Deliang Bao, Hui Chen, Haitao Yang, Xiao Lin, Shixuan Du, Hong-Jun Gao
"Controllable fabrication and photocatalytic performance of nanoscale single-layer MoSe2 islands with substantial edges on an Ag (111) substrate"
Nanoscale 13, 45, 19165-19171 (2021). 1
 
17.Yang Song, Jinbo Pan, Yan-Fang Zhang, Haitao Yang, Shixuan Du
"Monolayer Iridium Sulfide Halides with High Mobility Transport Anisotropy and Highly Efficient Light Harvesting"
J. Phys. Chem. Lett. 12, 6007-6013 (Cover Story) 1
 
18.Ziyuan Liu, Jinbo Pan, Yan-Fang Zhang and Shixuan Du
"Half-auxetic effect and ferroelasticity in a two-dimensional monolayer TiSe"
J. Phys.: Condens. Matter 33, 144002 (2021). 1
 
19.Yong Zhu, Lei Tao, Xiya Chen, Yinhang Ma, Shoucong Ning, Jiadong Zhou, Xiaoxu Zhao, Michel Bosman, Zheng Liu, Shixuan Du, Sokrates T Pantelides, Wu Zhou
"Anisotropic point defects in rhenium diselenide monolayers"
iScience 24,12,103456 (2021).1
 
20.Xue-Yan Wang, Hui Guo, Jin-An Shi, Yi Biao, Yan Li, Guang-Yuan Han, Shuai Zhang, Kai Qian, Wu Zhou, Xiao Lin, Shi-Xuan Du, Cheng-Min Shen, Hong-Liang Lu, Hong-Jun Gao
"MgO intercalation and crystallization between epitaxial graphene and Ru (0001)"
Rare Metals 1-7 (2021). 1
 
21.Yan-Fang Zhang, Jinbo Pan, Shixuan Du
"Geometric, electronic, and optical properties of MoS2/WSSe van der Waals heterojunctions: a first-principles study"
Nanotechnology 32 355705 (2021). 1
 
22.Chang-TianWang, Yan-Fang Zhang, and Shixuan Du
"Adsorption of 4,4″-Diamino-p-Terphenyl on Cu(001): A First-Principles Study"
Surfaces 4, 31–38 (2021). 1
 
23.Xian-Li Zhang, Jinbo Pan, Xin Jin, Yan-Fang Zhang, Jia-Tao Sun, Yu-Yang Zhang, Shixuan Du
"Database Construction for Two-Dimensional Material-Substrate Interfaces"
Chin. Phys. Lett. 38 066801 (2021). 1
 
24.Wen-Han Dong, De-Liang Bao, Jia-Tao Sun, Feng Liu, Shixuan Du
"Manipulation of Dirac Fermions in Nanochain-Structured Graphene"
Chin. Phys. Lett. 38 097101 (2021). 1
 
25.Yang Song, Yan-Fang Zhang, Jinbo Pan and Shixuan Du
"Ultra-low Young’s modulus and high super-exchange interactions in monolayer CrN: a promising candidate for flexible spintronic applications"
Chin. Phys. B 30,4, 047105 (2021).1
 
26.Lei Gao, Yan-Fang Zhang, Jia-Tao Sun, Shixuan Du
"Band engineering of honeycomb monolayer CuSe via atomic modification"
Chin. Phys. B 30 ,10,106807 (2021). 1
 
27.Yuxiang Gao, Xin Jin, Yixuan Gao, Yu-Yang Zhang, Shixuan Du
"Electronic structures of vacancies in Co3Sn2S2"
Chin. Phys. B 30,7,077102 (2021).1
 
28.Huan Yang, Yixuan Gao, Wenhui Niu, Xiao Chang, Li Huang, Junzhi Liu, Yiyong Mai, Xinliang Feng, Shixuan Du, Hong-Jun Gao
"Fabrication of sulfur-doped cove-edged graphene nanoribbons on Au (111) "
Chin. Phys. B 30,7,077306 (2021).1
 
29.Huan Yang, Yun Cao, Yixuan Gao, Yubin Fu, Li Huang, Junzhi Liu, Xinliang Feng, Shixuan Du and Hong-Jun Gao
"NBN-doped nanographene embedded with five- and seven-membered rings on Au(111) surface"
Chin. Phys. B 30,5,056802 (2021). 1
 
30.Xueyan Wang, Hui Guo, Jianchen Lu, Hongliang Lu, Xiao Lin, Chengmin Shen, Lihong Bao, Shixuan Du, Hong-Jun Gao
"Intercalation of germanium oxide beneath large-area and high-quality epitaxial graphene on Ir (111) substrate"
Chin. Phys. B 30,4,048102 (2021). 1
 
31.Qi Zheng, Li Huang, Deliang Bao, Rongting Wu, Yan Li, Xiao Lin, Shixuan Du, Hong-Jun Gao
"Substrate Tuned Reconstructed Polymerization of Naphthalocyanine on Ag (110)"
Chin. Phys. B 31,1,018202(2021).1
 
32.Yang Song, Lei Tao, Yanfang Zhang, Jinbo Pan & Shixuan Du
"A DFT Investigation on the Electronic Structures and Au Adatom Assisted Hydrogenation of Graphene Nanoflake Array"
Chem. Res. Chinese Universities 37, 1110–1115 (2021). 1
 
33.Tiancheng Gong, Lei Tao, Junkang Li, Yan Cheng, Yannan Xu, Wei Wei, Pengfei Jiang, Peng Yuan, Yuan Wang, Yuting Chen, Yaxin Ding, Yang Yang, Yan Wang, Bing Chen, Qing Luo, Steve S Chung, Shixuan Du, Ming Liu
"105× Endurance Improvement of FE-HZO by an Innovative Rejuvenation Method for 1z Node NV-DRAM Applications"
2021 Symposium on VLSI Technology 1-2 (2021). 1
 
34.刘子媛, 潘金波, 张余洋, 杜世萱
"原子尺度构建二维材料的第一性原理计算研究"
物理学报. 2021, 70(2): 027301 (2021). 1
 
35.陈辉, 杜世萱, 高鸿钧
"石墨烯纳米结构的原子级精准构造"
物理. 50, 5, 325 (2021). 1
 

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