1. (10).Hao Ma, Wen Zhao*, Hao Ren, Houyu Zhu, Yuhua Chi, Wenyue Guo*, High Solar-to-Hydrogen Efficiency in the Novel Derivatives of Group-III Trichalcogenides for Photocatalytic Water Splitting: the Effect of Elemental Composition.   J. Mater. Chem. A ,2023,11, 17007.

  2. (9).Feifei Xu, Zhixiao Gao, Zhencui Ge, Hao Ma, Hao Ren, Houyu Zhu, Yuhua Chi, Wenyue Guo, and Wen Zhao*. Two-dimensional metal–organic frameworks as bifunctional electrocatalysts for the oxygen evolution reaction and oxygen reduction reaction (OER/ORR): a theoretical study.   Phys. Chem. Chem. Phys. 2023, 25, 17508

  3. (8).Rui Li, Houyu Zhu*, Dongyuan Liu, Ping He, Yucheng Fan, Wen Zhao*, Xiaoqing Lu, Yuhua Chi, Hao Ren, Yuan Pan, Yunqi Liu, Wenyue Guo*. Density Functional Theory Study of S-Edge Structures, Thiophene Adsorption, and Hydrodesulfurization Mechanisms on Triangular MoS2 Nanoclusters.  Catal. Lett. 2023

  4. (7).Wang, Lu;Wang, Lin;*Yuan, Saifei;Song, Liping;Ren, Hao;XU, Yuankang;He, Manman;Zhang, Yuheng;Wang, Hang;Huang, Yichao;Wei, Tong;Zhang, Jiangwei;*Himeda, Yuichiro;*Fan, Zhuangjun;*Covalently-bonded single-site Ru-N2 knitted into covalent triazine frameworks for boosting photocatalytic CO2 reduction  APPL CATAL B-ENVIRON. 2023, 322, 122097.

  5. (6).Ge, Zhencui;Zhao, Wen;*Yuan, saifei;Gao, Zhixiao;Hao, Chunlian;Ma, Hao;*Ren, Hao;Guo, Wenyue;*Effect of surface Se concentration on stability and electronic structure of monolayer Bi2O2Se. APPL SURF SCI. 2023, 155528.

  6. (5).Chen, Zhengnan;Chi, Yuhua;*Ma, Hao;Yuan, Saifei;Hao, Chunlian;Zhu, Houyu;Guo, Wenyue; Effect of vacancy concentration on the production selectivity of Janus In2S2X (X=Se, Te) monolayer heterojunction photocatalytic reduction of CO2PHYSICA E. 2023, 146, 115549.

  7. (4). Ma, Huifang; Yang, Yanzhao; Jing, Heng; Jiang, Wanshun; Guo, Wenyue;* Ren, Hao;* A semi-empirical model to retrieve finite temperature terahertz absorption spectra using Morse potential. Chin. J. Chem. Phys. 2023, 36, 15–24.

  8. (3).Chen, Zhengnan;Chi, Yuhua;*Ma, Hao;Yuan, Saifei;Hao, ChunlianRen, Hao;Zhao, Wen;Zhu, Houyu;Ling, Cuicui;Guo, Wenyue; Effect of point defect-induced surface active sites of MoSi2N4 on performance of photocatalytic CO2 reduction. Applied Catalysis A: General. 2023, 118975.

  9. (2).Wang, Ying;Ma, Huifang;Yang, Yanzhao;Qi, Jiantao;Zhang, Guiming;Ren, Hao;*Guo, Wenyue;* First principles terahertz spectroscopy of molecular crystals: the crucial role of periodic boundary conditions benchmarked with experimental l-ascorbic acid spectra. Phys. Chem. Chem. Phys. 2023,25, 12252-12258.

  10. (1).Geng, Di;Huang, Yichao;*Yuan, Saifei;Jiang, Yangyang;Ren, Hao;*Zhang, Su; Liu, Zheng;Feng, Jing; Wei, Tong;Fan, Zhuangjun;*Coordination Engineering of Defective Cobalt–Nitrogen–Carbon Electrocatalysts with Graphene Quantum Dots for Boosting Oxygen Reduction Reaction. Small 2023, 19, 2207227.