Publications:
The single asterisk indicates corresponding authors.
For more information about my articles and related citations, please see my S.Q. Wu (0000-0002-2545-0054) - ORCID page
能源材料物理
[A1] Jiawei Gu,# Yiwei You,# Miao Liu,* Ling Huang, Zhefei Sun, Junjie Liu, Liyuan Sha, Minghui Chen, Sha Li, Shunqing Wu,* Qiaobao Zhang, Li Zhang,* "Creating rich closed nanopores in anthracite-derived soft carbon enables greatly-enhanced sodium-ion storage in the low-working-voltage region", Chemical Engineering Journal 505 (2025) 159331. <doi: 10.1016/j.cej.2025.159331>
[A2] Bin Han, Xinrui Cao, Xingfa Liu, Kai Chen, Liangping Xiao, Qingchi Xu,* Shunqing Wu,* and Jun Xu,* "From Bulk to Nanosheet: How Tellurene Can Influence the Performance of Li-S Batteries on Both Electrodes", Advanced Functional Materials 35 (2025) 2415782. <doi: 10.1002/adfm.202415782>
[A3] Junjie Liu,# Yiwei You,# Ling Huang,# Qizheng Zheng, Zhefei Sun, Kai Fang, Liyuan Sha, Miao Liu, Xiao Zhan, Jinbao Zhao, Ye-Chuang Han, Qiaobao Zhang, Yanan Chen, Shunqing Wu,* and Li Zhang,* "Precisely Tunable Instantaneous Carbon Rearrangement Enables Low-Working-Potential Hard Carbon Toward Sodium-Ion Batteries with Enhanced Energy Density", Advanced Materials 36 (2024) 2407369. <doi: 10.1002/adma.202407369>
[A4] Yiwei You, Dexin Zhang, Xinrui Cao, Tie-Yu Lü, Zi-Zhong Zhu, Shunqing Wu,* "Exploring High-Valence Element Doping in LLZO Electrolytes: Effects on Phase Transition and Lithium-Ion Conductivity", Journal of Power Sources 612 (2024) 234831. <doi: 10.1016/j.jpowsour.2024.234831>
[A5] Yiwei You, Dexin Zhang, Fulun Wu, Xinrui Cao, Yang Sun, Zi-Zhong Zhu, Shunqing Wu,* "Principal component analysis enables the design of deep learning potential precisely capturing LLZO phase transitions", npj Computational Materials 10 (2024) 57. <doi: 10.1038/s41524-024-01240-7>
[A6] Dexin Zhang, Yiwei You, Fulun Wu, Xinrui Cao, Tie-Yu Lü, Yang Sun, Zi-Zhong Zhu, Shunqing Wu,* "Exploring the Relationship between Composition and Li-ion Conductivity in the Amorphous Li-La-Zr-O System", ACS Materials Letters 6 (2024) 1849-1855. <doi: 10.1021/acsmaterialslett.3c01558>
[A7] L. Luo, F. Zheng, H. Gao, C. Lan, Z. Sun, W. Huang, X. Han, Z. Zhang, P. Su, P. Wang, S. Guo, G. Lin, J. Xu, J. Wang, J. Li, C. Li, Q. Zhang, S.Q. Wu,* M.-S. Wang,* and S. Chen,* "Tuning the electron transport behavior at Li/LATP interface for enhanced cyclability of solid-state Li batteries", Nano Research 16 (2023) 1634-1641. <doi: 10.1007/s12274-022-5136-2>
[A8] X. Lan,# J. Cui,# X. Zhang,# R. Hu,* L. Tan, J. He, H. Zhang, X.Y. Xiong, X. Yang, S.Q. Wu,* and M. Zhu,* "Boosting Reversibility and Stability of Li Storage in SnO2-Mo Multilayers: Introduction of Interfacial Oxygen Redistribution", Advanced Materials 34 (2022) 2106366. <doi: 10.1002/adma.202106366>
[A9] Y. You, F. Zheng, D. Zhang, C. Zhao, C. Hu, X. Cao,* Z.-Z. Zhu, and S.Q. Wu,* "Effect of Charge Non-Uniformity on the Lithium Dendrites and Improvement by the LiF Interfacial Layer", ACS Applied Energy Materials 5 (12) (2022) 15078-15085. <doi: 10.1021/acsaem.2c02756>
[A10] W. Zuo, X. Liu, J. Qiu, D. Zhang, Z. Xiao, J. Xie, F. Ren, J. Wang, Y. Li, G.F. Ortiz, W. Wen, S.Q. Wu, M.-S. Wang,* R. Fu, Y. Yang,* "Engineering Na+-layer spacings to stabilize Mn-based layered cathodes for sodium-ion batteries", Nature Communications 12 (2021) 4903. <doi: 10.1038/s41467-021-25074-9>
地球与行星深部物质
[B1] Fulun Wu, Yang Sun,* Tianqi Wan, Kai-Ming Ho, Shunqing Wu,* Renata M. Wentzcovitch,* "Deep-learning-based prediction of the tetragonal→cubic transition in davemaoite", Geophysical Research Letters 51 (2024) e2023GL108012. <doi: 10.1029/2023GL108012>
[B2] Yimei Fang, Yang Sun,* Renhai Wang, Feng Zheng, Feng Zhang, Shunqing Wu,* Cai-Zhuang Wang, Renata M. Wentzcovitch,* and Kai-Ming Ho, "Structural prediction of Fe-Mg-O compounds at super-Earth’s pressures", Physical Review Materials 7 (2023) 113602. <doi: 10.1103/PhysRevMaterials.7.113602>
[B3] F. Wu,# F. Zheng,# W. He, X. Cao, T.-Y. Lü, Z.-Z. Zhu, and S.Q. Wu,* "Deep learning interatomic potential for Ca-O system at high pressure", Physical Review Materials 6 (2022) 103802. <doi: 10.1103/PhysRevMaterials.6.103802>
[B4] F. Zheng, Y. Sun,* R. Wang, Y. Fang, F. Zhang, B. Da, S.Q. Wu,* C.-Z. Wang, R.M. Wentzcovitch, and K.-M. Ho, "Structure and motifs of iron oxides from 1 to 3 TPa", Physical Review Materials 6 (2022) 043602. <doi: 10.1103/PhysRevMaterials.6.043602>
[B5] Y. Fang, Y. Sun,* R. Wang, F. Zheng, S.Q. Wu,* C.-Z. Wang, R.M. Wentzcovitch,* K.-M. Ho, "Unconventional iron-magnesium compounds at terapascal pressures", Physical Review B 104 (2021) 144109. <doi: 10.1103/PhysRevB.104.144109>
计算凝聚态物理方法
[C1] S.Q. Wu, M. Ji, C.Z. Wang,* M.C. Nguyen, X Zhao, K. Umemoto, R.M. Wentzcovitch, K.M. Ho,* "An Adaptive Genetic Algorithm Method for Crystal Structure Prediction", Journal of Physics: Condensed Matter 26 (2014) 035402. <doi: 10.1088/0953-8984/26/3/035402>
[C2] Yimei Fang, Feng Zhang,* Zhuo Ye, Han Zhang, Wen-Cai Lu, Shunqing Wu,* Yong-Xin Yao, Cai-Zhuang Wang, Kai-Ming Ho, "Ground and excited states of even-numbered Hubbard ring at half-filling: comparison of the extended Gutzwiller approach with exact diagonalization", Journal of Physics: Condensed Matter 35 (2023) 265602. <doi: 10.1088/1361-648X/acc7ed>
[C3] Zhuo Ye, Feng Zhang, Yimei Fang, Han Zhang, Shunqing Wu, Wen-Cai Lu, Yong-Xin Yao, Cai-Zhuang Wang, and Kai-Ming Ho, "A rotationally invariant approach based on Gutzwiller wave function for correlated electron systems", Journal of Physics: Condensed Matter 34 (2022) 495601. <doi: 10.1088/1361-648X/ac9945>
[C4] Zhuo Ye,* Yimei Fang, Han Zhang, Feng Zhang, Shunqing Wu, Wen-Cai Lu, Yong-Xin Yao, Cai-Zhuang Wang and Kai-Ming Ho, "The Gutzwiller conjugate gradient minimization method for correlated electron systems", Journal of Physics: Condensed Matter 34 (2022) 243001. <doi: 10.1088/1361-648X/ac5e03>
[C5] Chundong Zhao, Feng Zheng, Dexin Zhang, Yiwei You, Shunqing Wu,* "Predicting the Lithium-Vacancy Arrangements of Layered Cathode Materials by a Voronoi Finite Element Method", Journal of The Electrochemical Society 170 (2023) 050504. <doi: 10.1149/1945-7111/accf3b>
新材料预测与设计
[D1] Peng Chen, Zepeng Wu, Yang Sun, Tie-Yu Lü, Xinrui Cao, Zi-zhong Zhu, and Shunqing Wu,* "High-temperature superconductivity of ternary Ca4BxC23−x clathrates at moderate pressure", Physical Review B 110 (2024) 214106. <doi: 10.1103/PhysRevB.110.214106>
[D2] Huimin Gao, Yimei Fang, Yinghui Zhou,* Feng Zheng, Tie-Yu Lü, Xinrui Cao, Zi-zhong Zhu, and Shunqing Wu,* "Tunable magnetic and electronic properties of CrS2/VS2 lateral superlattices", Nanoscale 17 (2025) 1592-1601. <doi: 10.1039/D4NR03857F>
[D3] Zhiwen Chen, Yimei Fang,* Meijuan Cheng, Tie-Yu Lü, Xinrui Cao, Zi-Zhong Zhu, Shunqing Wu,* "Large second-harmonic generation and linear electro-optic effect in the bulk kagome lattice compound Nb3MX7 (M = Se, S, Te; X = I, Br)", Physical Review B 109 (2024) 115118. <doi: 10.1103/PhysRevB.109.115118>
[D4] Feng Zheng, Zhen Zhang, Zepeng Wu, Shunqing Wu,* Qiubao Lin, Renhai Wang, Yimei Fang, Cai-Zhuang Wang, Vladimir Antropov, Yang Sun,* Kai-Ming Ho, "Prediction of ambient pressure superconductivity in cubic ternary hydrides with MH6 octahedra", Materials Today Physics 42 (2024) 101374. <doi: 10.1016/j.mtphys.2024.101374>
[D5] Zepeng Wu, Yang Sun,* Artur P. Durajski, Feng Zheng, Vladimir Antropov, Kai-Ming Ho, and Shunqing Wu,* "Effect of doping on the phase stability and superconductivity in LaH10", Physical Review Materials 7 (2023) L101801. <doi: 10.1103/PhysRevMaterials.7.L101801>
[D6] Feng Zheng, Yang Sun,* Renhai Wang, Yimei Fang, Feng Zhang, Shunqing Wu,* Cai-Zhuang Wang, Vladimir Antropov, and Kai-Ming Ho, "Superconductivity in the Li-B-C system at 100 GPa", Physical Review B 107 (2023) 014508. <doi: 10.1103/PhysRevB.107.014508>
[D7] Yang Sun,* Feng Zhang, Shunqing Wu,* Vladimir Antropov,* and Kai-Ming Ho, "Effect of nitrogen doping and pressure on the stability of LuH3", Physical Review B 108 (2023) L020101. <doi: 10.1103/PhysRevB.108.L020101>
[D8] Q. Yu, Y. Fang,* X. Cao, S.Q. Wu,* Z.-Z. Zhu, "Strain modulated quantum spin Hall effect in monolayer NiB", Applied Physics Letters 118 (2021) 183101. <doi: 10.1063/5.0048423>
[D9] Lijin Zhan,# Yimei Fang,# Ruotong Zhang, Xiancong Lu, Tie-yu Lü, Xinrui Cao, Zizhong Zhu and Shunqing Wu,* "Quantum spin Hall effect in tilted penta silicene and its isoelectronic substitutions", Physical Chemistry Chemical Physics 24 (2022) 15201-15207. <doi: 10.1039/D2CP01390H>
[D10] Y. Fang, S. Chen, X. Lu, S.Q. Wu,* Z.-Z. Zhu,* "Robust quantum anomalous Hall effect in a pentagonal MoS2 monolayer grown on CuI(001) substrates", Physical Review B 103 (2021) 115131. <doi: 10.1103/PhysRevB.103.115131>
