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1. Yuan Wang, Lei Tao, Roger Guzman, Qing Luo, Wu Zhou, Yang Yang, Yingfen Wei, Yu Liu, Pengfei Jiang, Yuting Chen, Shuxian Lv, Yaxin Ding, Wei Wei, Tiancheng Gong, Yan Wang, Qi Liu, Shixuan Du, Ming Liu
"A stable rhombohedral phase in ferroelectric Hf(Zr)1+xO2 capacitor with ultralow coercive field"
Science, 381 558-563 (2023). 1

 
2. J Yang, J Deng, J Pan, Y Zhu, YF Zhang, Y Li, JT Sun, S Du
"1D Van der Waals Polymers with Nonlinear Optical Performance Approaching Theoretical Upper Limit"
Advanced Functional Materials, 2305731 (2023). 1

 
3. Dongfei Wang, De-Liang Bao, Qi Zheng, Chang-Tian Wang, Shiyong Wang, Peng Fan, Shantanu Mishra, Lei Tao, Yao Xiao, Li Huang, Xinliang Feng, Klaus Müllen, Yu-Yang Zhang, Roman Fasel, Pascal Ruffieux, Shixuan Du & Hong-Jun Gao
"Twisted bilayer zigzag-graphene nanoribbon junctions with tunable edge states"
Nature Communications 14, 1018 (2023). 1

 
4. Junjie Wang, Tianping Ying, Jun Deng, Cuiying Pei, Tongxu Yu, Xu Chen, Yimin Wan, Mingzhang Yang, Weiyi Dai, Dongliang Yang, Yanchun Li, Shiyan Li, Soshi Iimura, Shixuan Du, Hideo Hosono, Yanpeng Qi, Jian‐gang Guo
"Superconductivity in an Orbital‐Reoriented SnAs Square Lattice: A Case Study of Li0.6Sn2As2 and NaSnAs"
Angew. Chem. 135, e202216086 (2023). 1

 
5. Bowei Li, Jun Deng, K. D. G. Imalka Jayawardena, Xueping Liu, Yuren Xiang, Aobo Ren, Abayomi Titilope Oluwabi, Steven Hinder, Benjamin Putland, John F. Watts, Hui Li, Shixuan Du, S. Ravi P. Silva, and Wei Zhang
"Unraveling the Degradation Pathway of Inverted Perovskite Solar Cells Based on ISOS-D-1 Protocol"
Small Methods, 2300223 (2023). 1

 
6. Jun Deng, Jinbo Pan, Yan-Fang Zhang, and Shixuan Du
"Database Construction of Two-Dimensional Charged Building Blocks for Functional-Oriented Material Design"
Nano Lett. 23, 4634 (2023). 1

 
7. Z Liu, L Tao, YF Zhang, J Pan, S Du
"Designing two-dimensional ferroelectric materials from phosphorus-analogue structures"
Nano Research 16,4, 5834-584(2023). 1

 
8. Xiao Chang, Li Huang, Yixuan Gao, Yubin Fu, Ji Ma, Huan Yang, Junzhi Liu , Xiaoshuai Fu, Xiao Lin, Xinliang Feng, Shixuan Du, and Hong-Jun Gao
"On-surface synthesis and edge states of NBN-doped zigzag graphene nanoribbons"
Nano Research 16, 7, 10436-10442 (2023). 1

 
9. Antoine Dumont, Eric Nicholson, Chenyue Qiu, Jinbo Pan, Zachary Gariepy,Shixuan Du, Jane Howe, Chandra Veer Singh, and Zheng-Hong Lu
"Restructuring and Reshaping of CsPbX3 Perovskites by Lithium Salts"
Advanced Materials Interfaces 9 (30), 2201296 (2023). 1

 
10. RZ Zhang, J Pan, YY Zhang, S Du
"Novel two-dimensional magnets with an in-plane auxetic effect"
Nanoscale 15 9365-9371 (2023). 1

 
11. Yuhui Li, Jun Deng, Yan-Fang Zhang, Xin Jin, Wen-Han Dong, Jia-Tao Sun, Jinbo Pan and Shixuan Du
"Nonvolatile electrical control of spin polarization in the 2D bipolar magnetic semiconductor VSeF"
npj Computational Materials 9, 50 (2023). 1

 
12. Bingyao Liu, Yu-Tian Zhang, Ruixi Qiao, Ruochen Shi, Yuehui Li, Quanlin Guo, Jiade Li, Xiaomei Li, Li Wang, Jiajie Qi, Shixuan Du, Xinguo Ren, Kaihui Liu, Peng Gao, and Yu-Yang Zhang
"Tunable Interband Transitions in Twisted h−BN/Graphene Heterostructures"
Phys. Rev. Lett. 131, 016201 (2023). 1

 
13. Haihong Jia, Yan-Fang Zhang, Chunlei Zhang, Min Ouyang, and Shixuan Du
"Ligand–Ligand-Interaction-Dominated Self-Assembly of Gold Nanoparticles at the Oil/Water Interface: An Atomic-Scale Simulation"
J. Phys. Chem. B 127, 10, 2258–2266 (2023). 1

 
14. Jie zhang, Shunuo Song, Yan-Fang Zhang, Yu-Yang Zhang, Sokrates T. Pantelides, and Shixuan Du
"Prediction of a monolayer spin-spiral semiconductor: CoO with a honeycomb lattice"
Chin. Phys. B 2023, 32, 8, 087508 (2023). 1

 
15. Xu Chen,Jun Deng, Shifeng Jin#, Tianping Ying, Ge Fei, Huifen Ren, Yunfan Yang, Ke Ma, Mingzhang Yang, Junjie Wang, Yanchun Li, Xin Chen, Xiaobing Liu, Shixuan Du, Jian-gang Guo, and Xiaolong Chen
"Two-Dimensional Pb Square Nets from Bulk (RO)nPb (R = Rare Earth Metals, n = 1,2)"
J. Am. Chem. Soc. 145, 31, 17435–17442 (2023). 1

 
16 Chen Hongxiang, Li Sheng, Deng Jun, Zhang Zhilong, Huang Jianeng, Chang Fa, Huang Li, Du Shixuan, Dai Pinqiang
"Synthesis, formation mechanism, and intrinsic physical properties of several As/P-containing MAX phases"
Journal of Materials Science \& Technology 133, NON, 23--31, (2023). 1

 
17 Jin Xin, O’Hara Andrew, Zhang Yu-Yang, Du Shixuan, Pantelides Sokrates T.
"Designing strong and tunable magnetoelectric coupling in 2D trilayer heterostructures"
2D Materials 10, 1, 015007, (2023). 1

 
18 Zhang Panpan, Jia Haihong, Zhang Yan-Fang, Du Shixuan
"Atomistic simulations of graphene origami: Dynamics and kinetics"
Chinese Physics B 32, 8, 087107, (2023). 1

 
19 Gao Yuxiang, Gao Yixuan, Zhang Yu-Yang, Du Shixuan
"Amorphization Toughening Induced by Microcracks in SiO2 Thin Films"
The Journal of Physical Chemistry C 127, 18, 8825--8832, (2023). 1

 
20 Sun Jiaqiang, Tao Lei, Ye Chenliang, Wang Yu, Meng Ge, Lei Hengyuan, Zheng Shenke, Xing Chuang, Tao Xin, Wu Pengfei, Chen Jiangang, Du Shixuan, Wang Dingsheng, Li Yadong
"MOF-Derived Ru1Zr1/Co Dual-Atomic-Site Catalyst with Promoted Performance for Fischer–Tropsch Synthesis"
Journal of the American Chemical Society 145, 13, 7113--7122, (2023). 1

 
21 Xu Mingquan, Bao De-Liang, Li Aowen, Gao Meng, Meng Dongqian, Li Ang, Du Shixuan, Su Gang, Pennycook Stephen J., Pantelides Sokrates T., Zhou Wu
"Single-atom vibrational spectroscopy with chemical-bonding sensitivity"
Nature Materials 22, 5, 612--618, (2023). 1

 
22 Jin Xin, Zhang Yu-Yang, Du Shixuan
"Recent progress in the theoretical design of two-dimensional ferroelectric materials"
Fundamental Research 3, 3, 322--331, (2023). 1

 
23 Guzman Roger, Ning Shoucong, Zhang Ruizi, Liu Hongtao, Ma Yinhang, Zhang Yu-Yang, Bao Lihong, Yang Haitao, Du Shixuan, Bosman Michel, Pennycook Stephen J., Gao Hong-Jun, Zhou Wu
"Collective Magnetic Behavior in Vanadium Telluride Induced by Self-Intercalation"
ACS Nano 17, 3, 2450--2459, (2023). 1

 
24 Zhang Rui-Zi, Pan Jinbo, Zhang Yu-Yang, Du Shixuan
"Novel two-dimensional magnets with an in-plane auxetic effect"
Nanoscale 15, 21, 9365--9371, (2023). 1

 
25 Wang Qin, Zhang Jie, Huang Jierui, Shi Jinan, Zhang Shuai, Guo Hui, Huang Li, Ding Hong, Zhou Wu, Zhang Yan-Fang, Lin Xiao, Du Shixuan, Gao Hong-Jun
"Fabrication of honeycomb AuTe monolayer with Dirac nodal line fermions"
Chinese Physics B 32, 1, 016102, (2023). 1

 
26 Sun Ruijin, Deng Jun, Ma Yuxin, Hao Munan, Chen Xu, Meng Dezhong, Zhao Changchun, Du Shixuan, Jin Shifeng, Chen Xiaolong
"Ferromagnetism induced by in-plane strain in a bulk VS 2 -based superlattice: (LiOH) 0.1 VS 2"
Chemical Communications 59, 70, 10556--10559, (2023). 1

 
27 Chang Xiao, Huang Li, Gao Yixuan, Yu Changjiang, Cao Yun, Lv Long, Lin Xiao, Du Shixuan, Gao Hong-Jun
"Adsorption structure of macrocyclic energetic molecule DOATF on Au(111)"
Chinese Physics B 32, 9, 096802, (2023). 1

 
28 Huang Zhiheng, Li Yuhui, Bo Tao, Zhao Yanchong, Wu Fanfan, Li Lu, Yuan Yalong, Ji Yiru, Liu Le, Tian Jinpeng, Chu Yanbang, Zan Xiaozhou, Peng Yalin, Li Xiuzhen, Zhang Yangkun, Watanabe Kenji, Taniguchi Takashi, Sun Zhipei, Yang Wei, Shi Dongxia, Du Shixuan, Du Luojun, Zhang Guangyu
"Real- and momentum-indirect neutral and charged excitons in a multi-valley semiconductor"
National Science Open 2, 4, 20220060, (2023). 1

 
29 Song Yang, Dong Wen-Han, Hao Kuan-Rong, Du Shixuan, Zhang Lizhi
"Designing topological and correlated 2D magnetic states via superatomic lattice constructions of zirconium dichloride"
Nano Research 16, 12, 13509--13515, (2023). 1

 
30 Chen Hongxiang, Zhang Zhilong, Deng Jun, Lin Zhijie, Hong Chunfu, Du Shixuan, Dai Pinqiang
"Observation of low thermal expansion behavior and weak thermal anisotropy in M3A2C phases"
Journal of Materials Science \& Technology 154, NON, 210--216, (2023). 1

 
31 Sun Ruijin, Deng Jun, Wu Xiaowei, Hao Munan, Ma Ke, Ma Yuxin, Zhao Changchun, Meng Dezhong, Ji Xiaoyu, Ding Yiyang, Pang Yu, Qian Xin, Yang Ronggui, Li Guodong, Li Zhilin, Dai Linjie, Ying Tianping, Zhao Huaizhou, Du Shixuan, Li Gang, Jin Shifeng, Chen Xiaolong
"High anisotropy in electrical and thermal conductivity through the design of aerogel-like superlattice (NaOH)0.5NbSe2"
Nature Communications 14, 1, 6689, (2023). 1

 
32 Zhang Chunlei, Jia Haihong, Zhang Yan-Fang, Du Shixuan
"Capping Layer Determined Self-assembly of Au–Ag Bimetallic Janus Nanoparticles at An Oil/Water Interface by Molecular Dynamics Simulations"
The Journal of Physical Chemistry B 127, 44, 9543--9549, (2023). 1

 
33 Li Hui, Wang Guobin, Yang Jingyu, Zhang Zesheng, Deng Jun, Du Shixuan
"Determination of Work Function for p- and n-Type 4H-SiC Single Crystals via Scanning Kelvin Probe Force Microscopy"
Chinese Physics Letters 40, 12, 128101, (2023). 1