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Papers citing ALKEMIE: An intelligent computational platform for accelerating materials discovery and design

  1. Facile fabrication of flexible and ultrathin self-assembled Ti3C2T /bacterial cellulose composite films with multifunctional electromagnetic shielding and photothermal conversion performances

    Chemical Engineering Journal · 2022-11-11

    Hao Liu, Zhou Cui, Lijin Luo, Qiugang Liao, Rui Xiong, Chao Xu, Cuilian Wen, Baisheng Sa

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  2. 3D hierarchical networks constructed from interlayer-expanded MoS 2 nanotubes and rGO as high-rate and ultra-stable anodes for lithium/sodium-ion batteries

    Journal of Materials Chemistry C · 2023-01-01

    Bingqing Ye, Zhou Cui, Zunxian Yang, Wenbo Wu, Yuliang Ye, Zihong Shen, Yuanqing Zhou, Qiaocan Huang, Songwei Ye, Zhiming Cheng, Hongyi Hong, Zongyi Meng, Zhiwei Zeng, Qianting Lan, Jiaxiang Wang, Ye Chen, Hui Zhang, Tailiang Guo, Yun Ye, Baisheng Sa, Zhenzhen Weng, Yongyi Chen

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  3. Computational mining of GeH-based Janus III–VI van der Waals heterostructures for solar cell applications

    Physical Chemistry Chemical Physics · 2023-01-01

    Ruifeng Li, Zhichao Shi, Rui Xiong, Zhou Cui, Yinggan Zhang, Chao Xu, Jingying Zheng, Bo Wu, Baisheng Sa, Cuilian Wen

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  4. Manipulating charge-transfer kinetics and a flow-domain LiF-rich interphase to enable high-performance microsized silicon–silver–carbon composite anodes for solid-state batteries

    Energy & Environmental Science · 2023-01-01

    Xiang Han, Lanhui Gu, Zhefei Sun, Minfeng Chen, Yinggan Zhang, Linshan Luo, Min Xu, Songyan Chen, Haodong Liu, Jiayu Wan, Yan‐Bing He, Jizhang Chen, Qiaobao Zhang

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  5. Predicted superconductivity in one-dimensional A 3 Hf 2 B 3 -type electrides

    RSC Advances · 2023-01-01

    Yulong Chen, Teng Xie, Ziqiang Chen, Zhou Cui, Cuilian Wen, Baisheng Sa

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  6. Progress in Structural Tailoring and Properties of Ternary Layered Ceramics

    Journal of Inorganic Materials · 2023-01-01

    Haoming Ding, Mian Li, Youbing Li, Ke CHEN, Yukun XIAO, Jie Zhou, Quanzheng Tao, Rosen Johanna, Hang Yin, Yuelei Bai, Bikun Zhang, Zhimei SUN, Junjie Wang, Yiming Zhang, Zhenying HUANG, Peigen Zhang, ZhengMing Sun, Meikang Han, Shuang Zhao, Chenxu Wang, Qing Huang

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  7. Superconductivity in Ca 3 H 2 electride at moderate pressure

    Journal of Materials Chemistry C · 2023-01-01

    Ziqiang Chen, Teng Xie, Pengfei Liu, Rui Xiong, Zhou Cui, Zihao Xu, Cuilian Wen, Bao‐Tian Wang, Baisheng Sa

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  8. Surface effects on the crystallization kinetics of amorphous antimony

    Nanoscale · 2023-01-01

    Xueyang Shen, Yuxing Zhou, Hanyi Zhang, Volker L. Deringer, Riccardo Mazzarello, Wei Zhang

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  9. The giant tunneling electroresistance effect in monolayer In 2 SSeTe-based lateral ferroelectric tunnel junctions

    Materials Advances · 2023-01-01

    Zhou Cui, Ting Li, Rui Xiong, Cuilian Wen, Yinggan Zhang, Jingying Zheng, Bo Wu, Baisheng Sa

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  10. Efficient Ohmic Contact in Monolayer CrX2N4 (X = C, Si) Based Field‐Effect Transistors

    Advanced Electronic Materials · 2023-01-03

    Yu Shu, Yongqian Liu, Zhou Cui, Rui Xiong, Yinggan Zhang, Chao Xu, Jingying Zheng, Cuilian Wen, Bo Wu, Baisheng Sa

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  11. Facet Dopant Regulation of Cu2O Boosts Electrocatalytic CO2 Reduction to Formate

    Advanced Functional Materials · 2023-01-25

    Xintao Ma, Yinggan Zhang, Tingting Fan, Diye Wei, Zongyi Huang, Zhihao Zhang, Zhihao Zhang, Zheng Zhang, Zheng Zhang, Yunyun Dong, Qi‐Ming Hong, Zhou Chen, Xiaodong Yi

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  12. Regulation of Interfacial Lattice Oxygen Activity by Full‐Surface Modification Engineering towards Long Cycling Stability for Co‐Free Li‐Rich Mn‐Based Cathode

    Small · 2023-02-26

    Weibin Guo, Yinggan Zhang, Liang Lin, Yuanyuan Liu, Mengjian Fan, Guiyang Gao, Shihao Wang, Baisheng Sa, Jie Lin, Qing Luo, Baihua Qu, Laisen Wang, Ji Feng Shi, Qingshui Xie, Dong‐Liang Peng

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  13. Research progress on coping strategies for the fluid-solid erosion wear of pipelines

    Powder Technology · 2023-03-20

    Haiyue Yu, Haonan Liu, Shuaijun Zhang, Junqiu Zhang, Zhiwu Han

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  14. Promising M2CO2/MoX2 (M = Hf, Zr; X = S, Se, Te) Heterostructures for Multifunctional Solar Energy Applications

    Molecules · 2023-04-17

    Jiansen Wen, Qi Cai, Rui Xiong, Zhou Cui, Yinggan Zhang, Zhihan He, Jun‐Chao Liu, Maohua Lin, Cuilian Wen, Bo Wu, Baisheng Sa

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  15. Surface modification using heptafluorobutyric acid to produce highly stable Li metal anodes

    Nature Communications · 2023-05-19

    Yuxiang Xie, Yixin Huang, Yinggan Zhang, Tai-Rui Wu, Shishi Liu, Miaolan Sun, Bruce P. Lee, Zhen Lin, Hui Chen, Peng Dai, Zheng Huang, Jian Wei Yang, Chenguang Shi, De‐Yin Wu, Ling Huang, Yingjie Hua, Chongtai Wang, Shi‐Gang Sun

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  16. Lattice Oxygen Redox Reversibility Modulation in Enhancing the Cycling Stability of Li‐Rich Cathode Materials

    Advanced Functional Materials · 2023-06-06

    Hualong Wu, Jiahao Dong, Yinggan Zhang, Liang Lin, Guiyang Gao, Tianyi Li, Xiaoli Yi, Baisheng Sa, Jiexi Wang, Laisen Wang, Jiantao Li, Khalil Amine, Dong‐Liang Peng, Qingshui Xie

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  17. Accelerating the Discovery of Transition Metal Borides by Machine Learning on Small Data Sets

    ACS Applied Materials & Interfaces · 2023-06-07

    Yuqi Sun, Guanjie Wang, Kaiqi Li, Liyu Peng, Jian Xin Zhou, Zhimei Sun

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  18. Curvature-dependent strain-induced photoluminescence modulations in flexible Er-doped Pb0.98La0.02Zr0.95Ti0.05O3 antiferroelectric thin films prepared by the sol-gel method

    Journal of the European Ceramic Society · 2023-07-13

    Lijuan Huang, Rui Xiong, Jiaxing Xie, Qi Liu, Yu Zhang, Qing Yang, Chunlin Zhao, Xiao Wu, Tengfei Lin, Cong Lin, Min Tian Gao, Baisheng Sa

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  19. AlphaMat: a material informatics hub connecting data, features, models and applications

    npj Computational Materials · 2023-07-26

    Zhilong Wang, An Chen, Kehao Tao, Junfei Cai, Yanqiang Han, Jing Li Gao, Simin Ye, Shiwei Wang, Imran Ali, Jinjin Li

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  20. Artificial Post‐Cycled Structure Modulation Towards Highly Stable Li‐Rich Layered Cathode

    Small · 2023-07-27

    Xiao Dong Han, Ai‐Lin Liu, Shihao Wang, Yuanyuan Liu, Saichao Li, Yinggan Zhang, Hongfei Zheng, Baisheng Sa, Laisen Wang, Jie Lin, Baihua Qu, Qingshui Xie, Dong‐Liang Peng

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  21. Machine learning-assisted selection of adsorption-based carbon dioxide capture materials

    Journal of environmental chemical engineering · 2023-08-10

    Eslam G. Al-Sakkari, Ahmed Ragab, Terry M.Y. So, Marzieh Shokrollahi, Hanane Dagdougui, Philippe Navarri, Ali Elkamel, Mouloud Amazouz

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  22. Advances in data‐assisted high‐throughput computations for material design

    Materials Genome Engineering Advances · 2023-09-01

    Dingguo Xu, Qiao Zhang, Xiangyu Huo, Yitong Wang, Mingli Yang

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  23. CEEM: a Chemically Explainable Deep Learning Platform for Identifying Compounds with Low Effective Mass

    Small · 2023-09-13

    Jing Gao, Zhilong Wang, Yanqiang Han, Mingyu Gao, Jinjin Li

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  24. Ordering phenomena in ternary transition‐metal dichalcogenides: Critical role of lattice symmetry and vdW interaction

    Materials Genome Engineering Advances · 2023-09-13

    Tianxu Zhang, Linggang Zhu, Hanyu Liu, Jian Xin Zhou, Zhimei Sun

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  25. Regulating Lewis Acid–Base Interaction in Poly (ethylene oxide)‐Based Electrolyte to Enhance the Cycling Stability of Solid‐State Lithium Metal Batteries

    Small Structures · 2023-09-21

    Chengkun Zhang, Shiyu Zhang, Yinggan Zhang, Xiaoyu Wu, Liang Lin, Xinchao Hu, Laisen Wang, Jie Lin, Baisheng Sa, Guoying Wei, Dong‐Liang Peng, Qingshui Xie

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  26. Integrated computational framework for controlling dimensional accuracy of thin-walled turbine blades during investment casting

    The International Journal of Advanced Manufacturing Technology · 2023-09-27

    Daiyin Zhao, Leyao Zhou, Donghong Wang, Hong Zeng, Xiufang Gong, Da Shu, Baode Sun

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  27. High-Throughput Computational Design of 2D Ternary Chalcogenides for Sustainable Energy

    The Journal of Physical Chemistry Letters · 2023-11-15

    Penghua Lan, Naihua Miao, Yu Gan, Liyu Peng, Siyu Han, Jian Xin Zhou, Zhimei Sun

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  28. Contact engineering for 2D Janus MoSSe/metal junctions

    Nanoscale Horizons · 2023-11-16

    Yu Shu, Ting Li, Naihua Miao, Jian Gou, Xiao‐Chun Huang, Zhou Cui, Rui Xiong, Cuilian Wen, Jian Xin Zhou, Baisheng Sa, Zhimei Sun

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  29. Atomic insights into device-scale phase-change memory materials using machine learning potential

    中国科学通报:英文版 · 2023-11-20

    Guanjie Wang, Zhimei Sun

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  30. Design of high bulk moduli high entropy alloys using machine learning

    Scientific Reports · 2023-11-22

    Manjunadh Kandavalli, Abhishek Agarwal, Ansh Poonia, Kishor Modalavalasa, Kameswari Prasada Rao Ayyagari

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  31. Prospects of materials genome engineering frontiers

    Materials Genome Engineering Advances · 2023-12-01

    Jianxin Xie

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  32. Magnetic-ferroelectric synergic control of multilevel conducting states in van der Waals multiferroic tunnel junctions towards in-memory computing

    Nanoscale · 2023-12-05

    Zhou Cui, Baisheng Sa, Kan‐Hao Xue, Yinggan Zhang, Rui Xiong, Cuilian Wen, Xiangshui Miao, Zhimei Sun

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  33. Activating two-dimensional semiconductors for photocatalysis: a cross-dimensional strategy

    Journal of Physics Condensed Matter · 2023-12-12

    Romain Botella, Wei Cao, J Celis, J Fernández-Catalá, R Greco, L Lu, Viktorija Pankratova, Filipp Temerov

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  34. PotentialMind: Graph Convolutional Machine Learning Potential for Sb–Te Binary Compounds of Multiple Stoichiometries

    The Journal of Physical Chemistry C · 2023-12-18

    Guanjie Wang, Yuqi Sun, Jian Xin Zhou, Zhimei Sun

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  35. Boosted Li 2 CO 3 reversible conversion utilizing Cu-doped TiB MBene/graphene for Li–CO 2 batteries

    Journal of Materials Chemistry A · 2024-01-01

    Tingting Luo, Qiong Peng, Mengmeng Yang, Haojie Hu, Junfei Ding, Yanli Chen, Xiu Gong, Jingliang Yang, Yunpeng Qu, Zeyou Zhou, Xiaosi Qi, Zhimei Sun

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  36. Multiphase artificial interphase layer enabled long-life and dendrite-free sodium metal batteries

    Journal of Materials Chemistry A · 2024-01-01

    Xia Li, Kuangji Li, Yinggan Zhang, Hualong Wu, Ziyi Fang, Xiaolin Yan, Baisheng Sa, Laisen Wang, Liang Lin, Jie Lin, Guoying Wei, Dong‐Liang Peng, Qingshui Xie

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  37. Z-scheme Al 2 SeTe/GaSe and Al 2 SeTe/InS van der Waals heterostructures for photocatalytic water splitting

    Physical Chemistry Chemical Physics · 2024-01-01

    Shaoying Guo, Zhou Cui, Yanhui Zou, Baisheng Sa

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  38. New Layered II–III–VI Semiconductors: Promising Materials for High Performance Solar Cells

    The Journal of Physical Chemistry C · 2024-01-17

    Di Zhang, Bing Wang, Yu Gan, Jian Xin Zhou, Zhimei Sun

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  39. Design principles of heterointerfacial redox chemistry for highly reversible lithium metal anode

    Proceedings of the National Academy of Sciences · 2024-01-26

    Liang Lin, Jiantao Li, Yinggan Zhang, Hongfei Zheng, Youzhang Huang, Chengkun Zhang, Baisheng Sa, Laisen Wang, Jie Lin, Dong‐Liang Peng, Jun Biao Lu, Khalil Amine, Qingshui Xie

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  40. Multi-functionalized full-interface integrated engineering towards highly reversible Li-rich Mn-based cathode

    Energy storage materials · 2024-02-01

    Saichao Li, Yuanyuan Liu, Yinggan Zhang, Guiyang Gao, Weibin Guo, Qixiang Xu, Hualong Wu, Mengjian Fan, Laisen Wang, Baisheng Sa, Jie Lin, Dong‐Liang Peng, Qingshui Xie

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  41. Strain-Modulated Phase Transition in 2D V3F8 Kagome Lattice with Topological Flat Band

    The Journal of Physical Chemistry C · 2024-02-02

    Shucheng Xing, Tong Zhao, Jian Xin Zhou, Zhimei Sun

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  42. LS-HTC: an HTC system for large-scale jobs

    CCF Transactions on High Performance Computing · 2024-03-11

    Juncheng Hu, Xilong Che, Bowen Kan, Yuhan Shao

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  43. Machine learning accelerates the screening of single-atom catalysts towards CO2 electroreduction

    Applied Catalysis A General · 2024-03-13

    Yaxin Shi, Zhiqin Liang

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  44. Methods and applications of machine learning in computational design of optoelectronic semiconductors

    Science China Materials · 2024-03-19

    Xiaoyu Yang, Kun Zhou, Xin He, Lijun Zhang

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  45. MLMD: a programming-free AI platform to predict and design materials

    npj Computational Materials · 2024-03-21

    Jiaxuan Ma, Bin Cao, Shuya Dong, Yuan Tian, Menghuan Wang, Jie Xiong, Sheng Sun

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  46. Machine learning interatomic potential: Bridge the gap between small-scale models and realistic device-scale simulations

    iScience · 2024-04-04

    Guanjie Wang, Changrui Wang, Xuanguang Zhang, Zefeng Li, Jian Xin Zhou, Zhimei Sun

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  47. Engineering bifunctional sites in covalent polymers for boosting photocatalytic H2S oxidation

    Surfaces and Interfaces · 2024-04-15

    Wenyan Wang, Zhibo Zhang, Jinyan Han, Shilan Zhang, Rui Xiong, Baisheng Sa, Can Yang

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  48. Unveiling the photoelectric and photocatalytic promise of two-dimensional lead-free perovskite/InX (X=Se, Te) van der Waals heterostructures

    Surfaces and Interfaces · 2024-04-16

    Jiansen Wen, Maojie Xie, Baisheng Sa, Naihua Miao, Cuilian Wen, Bo Wu, Jian Xin Zhou, Zhimei Sun

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  49. Rapid estimation of γ' solvus temperature for composition design of Ni-based superalloy via physics-informed generative artificial intelligence

    Journal of Alloys and Metallurgical Systems · 2024-04-21

    Yunfei Ren, Tao Hu, Songzhe Xu, Chaoyue Chen, Weidong Xuan, Zhongming Ren

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  50. An autotransferable alloy overlayer toward stable sodium metal anodes

    Journal of Colloid and Interface Science · 2024-05-16

    Liang Lin, Renkang Wu, Yanping Zhuang, Yinggan Zhang, Xia Li, Jin Wang, Chengkun Zhang, Baisheng Sa, Qing Luo, Laisen Wang, Jie Lin, Yingbin Lin, Dong‐Liang Peng, Qingshui Xie

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