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(15). Zhang, Yingnan; Guo, Wenyue*; Molecular insight into the tight oil movability in nano-pore throat systems Fuel. 2021, 293, 120428.

(14). Zhang, Yingnan; Yan, Yujie; Hou, Dong; Liu, Jinxiang*; Yan, Youguo; Zhang, Jun; Guo, Wenyue; Stability of CH4, CO2, and H2S in two-dimensional clathrate hydrates. Comput. Mater. Sci. 2021, 188, 110174.

(13). Cao, Shoufu; Pan, Yuan; Wei, Shuxian*; Wei, Xiaofei; Zhou, Sainan; Chen, Hongyu; Hu, Yuying; Zhou, Sainan; Chen, Hongyu; Hu, Yuying; Wang, Zhaojie; Liu, Siyuan; Guo, Wenyue; Lu, Xiaoqing*; Can N, S Cocoordination Promote Single Atom Catalyst Performance in CO2RR? Fe-N2S2 Porphyrin versus Fe-N-4 Porphyrin. Small 2021, 17(29), 2100949.

(12). Wang, Yutong; Hao, Chunlian; Fan, Weidong; Fu, Mingyue; Wang, Xiaokang; Wang, Zhikun; Zhu, Lei; Li, Yue; Lu, Xiaoqing; Dai, Fangna; Kang, Zixi; Wang, Rongming; Guo, Wenyue; Hu, Songqing; Sun, Daofeng*;One-step Ethylene Purification from an Acetylene/Ethylene/Ethane Ternary Mixture by Cyclopentadiene Cobalt-Functionalized Metal-Organic Frameworks. Angew. Chem. Int. Ed. 2021, 60, 11350.

(11). Ren, Hao; Wang, Zhengjie; Guo, Sibei;  Guo, Wenyue; Tian, Guangjun*; Tian, Baoling*; Ultrafast stimulated resonance Raman signatures of lithium polysulfides for shuttling effect characterization: An ab initio study. J. Chem. Phys. 2021, 155, 174301.

(10). Liang, Lijun; Zhou,Hanxing; Li, Jiachen; Chen,Qu; Zhu,Linli*; Ren,Hao; Data-driven design of nanopore graphene for water desalination. J. Phys. Chem. C 2021, 125, 27685-27692.

(9). Wu, Yuhan#; Gao, Zhixiao#; Feng, Yiran; Cui, Qiannan; Du, Cuiwei; Yu, Chongfei; Liang, Liang; Zhao, Wen*; Feng, Jinglan; Sun, Jianhui; Yang, Ruizhi*; Sun, Jingyu*; Harnessing selective and durable electrosynthesis of H2O2 over dual-defective yolk-shell carbon nanosphere toward on-site pollutant degradation. Appl. Catal. B 2021, 298, 120572.

(8). Yuan, Saifei; Xu, Beixi; Li, Shujuan; Zhu, Wenbiao; Lei, Shulai*; Guo, Wenyue*; Ren, Hao; Highly efficient photocatalytic reduction of nitrogen into ammonia by single Ru atom catalyst supported by BeO monolayer. Chin. Chem. Lett. 2022, 33, 399-403.

(7). Ren, Hao; Li, Hao; Zhang, Qian; Liang, Lijun; Guo, Wenyue; Huang, Fang; Luo, Yi*; Jiang, Jun*; A Machine Learning Vibrational Spectroscopy Protocol for Spectrum Prediction and Spectrum-based Structure Recognition. Fundam. Res. 2021, 1, 488-494.

(6). Ma, Hao; Zhao, Wen*; Yuan, Saifei; Ren, Hao; Zhu, Houyu; Ma, Huifang; Ding, Feng*; Guo, Wenyue*;  Reconstructed edges of T phase transition metal dichalcogenides. Mater. Today Phys. 2021, 19, 100411.

(5). Yuan, Saifei; Ren, Hao*; Meng, Guodong; Zhao, Wen; Zhu, Houyu; Guo, Wenyue*;  ZnO monolayer supported single atom catalysts for efficient nitrogen electroreduction to ammonia. Appl. Surf. Sci 2021, 555, 149682.

(4). Yi, Yuyang#; Ma, Hao#; Lian, Xueyu#; Mei, Qingqing; Zeng, Zhihan; Zhao, Yu; Lu, Chen; Zhao, Wen*; Guo, Wenyue; Liu, Zhongfan; Sun, Jingyu*; Harmonized edge/graphitic-nitrogen doped carbon nanopolyhedron@nanosheet composite via salt-confined strategy for advanced K-ion hybrid capacitors. InfoMat 2021, 3, 891-903.

(3). Wu, Yuhan#; Tian, Zhengnan#; Yuan, Saifei; Qi, Ziyuan; Feng, Yiran; Wang, Yifei*; Huang, Rong; Zhao, Yinlan; Sun, Jianhui; Zhao, Wen*; Guo, Wenyue; Feng, Jinglan; Sun, Jingyu*; Solar-driven self-powered alkaline seawater electrolysis via multifunctional earth-abundant heterostructures. Chem. Eng. J 2021, 411, 128538.

(2). Lu, Chen#; Gao, Zhixiao#; Liu, Bingzhi#; Shi, Zixiong; Yi, Yuyang; Zhao, Wen; Guo, Wenyue; Liu, Zhongfan; Sun, Jingyu*; Synchronous Promotion in Sodiophilicity and Conductivity of Flexible Host via Vertical Graphene Cultivator for Longevous Sodium Metal Batteries. Adv. Funct. Mater. 2021, 31, 2101233.

(1). Tian, Baoling; Li, Shujuan; Lei, Shulai*; Lin, Liangxu; Guo, Wenyue; Ren, Hao*, Structural insights of catalytic intermediates in dialumene based CO₂ capture: Evidences from theoretical resonance Raman spectra. Chin. Chem. Lett. 2021, 32, 2469-2473.