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Zeyu Deng

National University of Singapore

23H-index
125Paper Count
2.7KCitation Count
Published Papers 58
Publication Date
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AI-Organized Multiscale Battery Modeling: Linking Structure and Property from Quantum to Device Scales
errSmall Structures
IF11.3
err2026-06-23
err0
errOAAI
errShoutong Jin; Ziyuan Wang; Mengke Li; Zeyu Deng
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Design Principles for Aqueous Stability of Lithium Halide and Oxyhalide Solid Electrolytes from First-Principles Pourbaix Analysis
errACS Energy Letters
IF18.2
err2026-06-22
err0
PREAI
errYan Li; Zeyu Deng
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errSave
Precursor-Modulated Synthesis Enables a Stable and Activatable Mn(III) Formate With the ReO3-Type Topology
errSmall
IF12.1
err2026-05-01
err0
errOAAI
errDas, Rajesh; Deng, Zeyu; Zhao, Dan; Cheetham, Anthony K.
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High-Performance Second-Harmonic Generation in Hybrid Ge Perovskite Ferroelectrics Enabled by Confinement Engineering
errAggregate
IF13.7
err2025-12-15
err0
errOAAI
errZhu Guo; Dingchong Han; Xian-Jiang Song; Hui-Peng Lv; Zeyu Deng; Chao Wang; Guangtong Yuan; Yuxin Liu; Jiangyu Li; Min Luo; Wei-Xiong Zhang; Han-Yue Zhang; Lingling Mao
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Phase Behavior and Ion Transport in Lithium-Niobium-Tantalum Oxide Alloys
errCHEMISTRY OF MATERIALS
IF7
err2025-12-01
err0
PREAI
errChen, Hengning; Deng, Zeyu; Gautam, Gopalakrishnan Sai; Li, Yan; Canepa, Pieremanuele
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errSave
luMOD: A Lightweight Universal Midrange Atomic Orientational Descriptor
errJournal of Chemical Theory and Computation
IF5.5
err2025-11-05
err0
PREAI
errYanhao Deng; Tianle Jiang; Zeyu Deng; Yanming Wang
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errSave
Mesoporous PtPd Alloy: High Entropy Oxide Heterostructures for Efficient Electrocatalytic Methanol Oxidation Reaction
errAngewandte Chemie International Edition
IF0
err2025-09-25
err0
PREAI
errDr. Jing Yang; Dr. Di Si; Dr. LinLin Yang; Dr. Heng-Quan Chen; Ren He; Dr. Congxu Wang; Dr. Wengang Huang; Dr. Fusong Kang; Dr. Zhipeng Liu; Yi Xiao; Prof. Tao Wang; Dr. Zeyu Deng; Prof. Jingjie Ge; Prof. Zhigang Hu; Prof. Andreu Cabot; Prof. Jingwei Hou; Prof. Lianzhou Wang; Prof. Anthony K. Cheetham; Prof. Tian Tian
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Accelerating the discovery of disordered multi-component solid-state electrolytes using machine learning interatomic potentials
errJ. Mater. Chem. A
IF9.5
err2025-09-06
err0
PREAI
errYanhao Deng; Yan Li; Gopalakrishnan Sai Gautam; Bonan Zhu; Zeyu Deng
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Topochemical Photocycloaddition in Two-Dimensional Lead-Halide Coordination Polymers with Tunable Phosphorescence
errChem. Sci.
IF7.4
err2025-07-29
err0
errOAAI
errZhongwei Chen; Jin Wu; Zeyu Deng; Congcong Chen; Jianning Feng; Baixu Ma; Lizhi Tao; Lingling Mao; Haipeng Lu
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errSave
Flex multimode neural network for complete optical computation
errISCIENCE
IF4.1
err2025-05-01
err0
errOAAI
errDeng, Zeyu; Dang, Zhangqi; Zhang, Ziyang
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Hydrophobic Metal-Formate Composites for Efficient CO2 Capture
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2025-02-25
err0
PREAI
errDas, Rajesh; Li, He; Evans, Hayden A.; Deng, Zeyu
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Miscibility of Li4GeO4 into Li3PS4 Solid Electrolytes from First-Principles Methods
errCHEMISTRY OF MATERIALS
IF7
err2024-08-13
err1
PREAI
errLi, Yan; Deng, Zeyu; Chen, Chuyang; Canepa, Pieremanuele
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Performance analysis of a novel multimode electricity-cooling cogeneration system (ECCS) driven by exhaust from a marine engine
errENERGY
IF9.4
err2024-08-01
err2
PREAI
errHu, Yuankang; Deng, Zeyu; Yang, Jiaming; Hu, Yilun; Zhong, Kaifeng; Xie, Yubao; Ou, Zhihua; Guo, Shuting; Li, Xiaoning
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Thermodynamics of Sodium-Lead Alloys for Negative Electrodes from First-Principles
errCHEMISTRY OF MATERIALS
IF7
err2024-07-03
err1
errOAAI
errLee, Damien K. J.; Deng, Zeyu; Gautam, Gopalakrishnan Sai; Canepa, Pieremanuele
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As-Grown Miniaturized True Zero-Order Waveplates Based on Low-Dimensional Ferrocene Crystals (vol 35, 2302468, 2023)
errADVANCED MATERIALS
IF26.8
err2024-06-04
err0
PREAI
errLi, Zhipeng; Ma, Xuezhi; Wei, Fengxia; Wang, Dapeng; Deng, Zeyu; Jiang, Mengting; Siddiquee, Arif; Qi, Kun; Zhu, Di; Zhao, Meng; Shen, Mengzhe; Canepa, Pieremanuele; Bao, Qiaoliang; Kou, Shanshan; Lin, Jiao; Wang, Qian
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Effects of Grain Boundaries and Surfaces on Electronic and Mechanical Properties of Solid Electrolytes
errADVANCED ENERGY MATERIALS
IF26
err2024-01-17
err9
errOAAI
errXie, Weihang; Deng, Zeyu; Liu, Zhengyu; Famprikis, Theodosios; Butler, Keith T.; Canepa, Pieremanuele
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0D Pyramid-intercalated 2D Bimetallic Halides with Tunable Electronic Structures and Enhanced Emission under Pressure
errANGEWANDTE CHEMIE-INTERNATIONAL EDITION
IF16.9
err2023-11-22
err1
PREAI
errLiu, Yang; Liang, Jiayuan; Deng, Zeyu; Guo, Songhao; Ji, Xiaoqin; Chen, Congcong; Canepa, Pieremanuele; Lue, Xujie; Mao, Lingling
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kMCpy: A python package to simulate transport properties in solids with kinetic Monte Carlo
errCOMPUTATIONAL MATERIALS SCIENCE
IF3.3
err2023-10-01
err2
PREAI
errDeng, Zeyu; Mishra, Tara P.; Xie, Weihang; Saeed, Daanyal Ahmed; Gautam, Gopalakrishnan Sai; Canepa, Pieremanuele
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Hydrogen Storage with Aluminum Formate, ALF: Experimental, Computational, and Technoeconomic Studies
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2023-09-28
err8
errOAAI
errEvans, Hayden A.; Yildirim, Taner; Peng, Peng; Cheng, Yongqiang; Deng, Zeyu; Zhang, Qiang; Mullangi, Dinesh; Zhao, Dan; Canepa, Pieremanuele; Breunig, Hanna M.; Cheetham, Anthony K.; Brown, Craig M.
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Kinetic Monte Carlo Simulations of Sodium Ion Transport in NaSICON Electrodes
errACS MATERIALS LETTERS
IF8.7
err2023-08-14
err4
errOAAI
errWang, Ziliang; Mishra, Tara P.; Xie, Weihang; Deng, Zeyu; Gautam, Gopalakrishnan Sai; Cheetham, Anthony K.; Canepa, Pieremanuele
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Research Directions

No research directions
Co-authors
Cooperation Journals
陈
陈忠伟 (Zhongwei Chen)
H-index: 144 · Papers: 1.6K
L
Lianzhou Wang
H-index: 132 · Papers: 934
刘洋 cover
刘洋 (Yang Liu)
H-index: 128 · Papers: 2.2K
A
Anthony K. Cheetham
H-index: 123 · Papers: 1.2K
汪俊华 cover
汪俊华 (John Wang)
H-index: 113 · Papers: 698
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