Jin CHANG . Supercapacitor performance and first-principles calculation study of Co-doping Ni(OH)₂. Chinese Journal of Inorganic Chemistry, 2024, 40(9): 1697-1707. doi: 10.11862/CJIC.20240108

Xin XIONG , Qian CHEN , Quan XIE . First principles study of the photoelectric properties and magnetism of La and Yb doped AlN. Chinese Journal of Inorganic Chemistry, 2024, 40(8): 1519-1527. doi: 10.11862/CJIC.20240064

Cheng PENG , Jianwei WEI , Yating CHEN , Nan HU , Hui ZENG . First principles investigation about interference effects of electronic and optical properties of inorganic and lead-free perovskite Cs₃Bi₂X₉ (X=Cl, Br, I). Chinese Journal of Inorganic Chemistry, 2024, 40(3): 555-560. doi: 10.11862/CJIC.20230282

Yanbo LIU , Jiadong LIU , Qing XIONG , Wutong ZHANG , Zhaosheng ZHANG . First-principles study on the optoelectronic properties and defect characteristics of CeBN₃ (B=Ta, Nb). Chinese Journal of Inorganic Chemistry, 2026, 42(6): 1155-1163. doi: 10.11862/CJIC.20260018

Haoqi Zhang ,  Borui Yao ,  Yun Zhang ,  Zhiguang Song ,  Bo Wang . 通过格氏试剂与环氧苯乙烯的反应认识其组成与性质的复杂性. University Chemistry, 2026, 41(5): 50-61. doi: 10.12461/PKU.DXHX202511129

Zhenming Xu ,  Mingbo Zheng ,  Zhenhui Liu ,  Duo Chen ,  Qingsheng Liu . Experimental Design of Project-Driven Teaching in Computational Materials Science: First-Principles Calculations of the LiFePO₄ Cathode Material for Lithium-Ion Batteries. University Chemistry, 2024, 39(4): 140-148. doi: 10.3866/PKU.DXHX202307022

Xiaojun Wu ,  Kai Hu ,  Faqiong Zhao . Laying the Groundwork for General Chemistry Experiment Teaching: Exploration and Summary of Assisting Experiment Preparatory Work through Online and Offline Integration. University Chemistry, 2024, 39(8): 23-27. doi: 10.3866/PKU.DXHX202312052

Yaping Li ,  Sai An ,  Aiqing Cao ,  Shilong Li ,  Ming Lei . The Application of Molecular Simulation Software in Structural Chemistry Education: First-Principles Calculation of NiFe Layered Double Hydroxide. University Chemistry, 2025, 40(3): 160-170. doi: 10.12461/PKU.DXHX202405185

Ximeng CHI , Jianwei WEI , Yunyun WANG , Wenxin DENG , Jiayi DAI , Xu ZHOU . First-principles study of the electronic structure and optical properties of Au and I doped-inorganic lead-free double perovskite Cs₂NaBiCl₆. Chinese Journal of Inorganic Chemistry, 2025, 41(7): 1371-1379. doi: 10.11862/CJIC.20240401

Keweiyang Zhang ,  Zihan Fan ,  Liyuan Xiao ,  Haitao Long ,  Jing Jing . Unveiling Crystal Field Theory: Preparation, Characterization, and Performance Assessment of Nickel Macrocyclic Complexes. University Chemistry, 2024, 39(5): 163-171. doi: 10.3866/PKU.DXHX202310084

Jinwang Wu , Qijing Xie , Chengliang Zhang , Haifeng Shi . Rationally Designed ZnFe_1.2Co_0.8O₄/BiVO₄ S-Scheme Heterojunction with Spin-Polarization for the Elimination of Antibiotic. Acta Physico-Chimica Sinica, 2025, 41(5): 100050-0. doi: 10.1016/j.actphy.2025.100050

Rui LIU , Xinjun ZHOU , Tao WANG . Photocatalytic degradation performance of tetracycline by MOF-74-Mn/g-C₃N₄ Z-type heterojunction. Chinese Journal of Inorganic Chemistry, 2025, 41(9): 1796-1804. doi: 10.11862/CJIC.20250033

Qinjin DAI , Shan FAN , Pengyang FAN , Xiaoying ZHENG , Wei DONG , Mengxue WANG , Yong ZHANG . Performance of oxygen vacancy-rich V-doped MnO₂ for high-performance aqueous zinc ion battery. Chinese Journal of Inorganic Chemistry, 2025, 41(3): 453-460. doi: 10.11862/CJIC.20240326

Shiqian WEI , Xinyu TIAN , Hong LIU , Maoxia CHEN , Fan TANG , Qiang FAN , Weifeng FAN , Yu HU . Oxygen reduction reaction/oxygen evolution reaction catalytic performances of different active sites on nitrogen-doped graphene loaded with iron single atoms. Chinese Journal of Inorganic Chemistry, 2025, 41(9): 1776-1788. doi: 10.11862/CJIC.20250102

Huan Zhang ,  Guoqing Zhong ,  Qiying Jiang ,  Wenyuan Hu ,  Dingming Yang ,  Juan shen ,  Yatang Dai ,  Hongbo Li . Development and Practice of the “Five Rings and One Heart” Teaching Model in Inorganic Chemistry. University Chemistry, 2025, 40(11): 42-51. doi: 10.12461/PKU.DXHX202412076

Hanxue LIU , Shijie LI , Meng REN , Xuling XUE , Hongke LIU . Design and antitumor properties of dehydroabietic acid functionalized cyclometalated iridium(Ⅲ) complex. Chinese Journal of Inorganic Chemistry, 2025, 41(8): 1483-1494. doi: 10.11862/CJIC.20250031

Tengyue ZHANG , Jingjing FENG , Zili LIANG , Jia′nan DAI , Jing MA . Optimization of C-doped BiVO₄ performance for tetracycline degradation using response surface methodology-assisted orthogonal experiments. Chinese Journal of Inorganic Chemistry, 2025, 41(12): 2561-2574. doi: 10.11862/CJIC.20250104

Jing WU , Puzhen HUI , Huilin ZHENG , Pingchuan YUAN , Chunfei WANG , Hui WANG , Xiaoxia GU . Synthesis, crystal structures, and antitumor activities of transition metal complexes incorporating a naphthol-aldehyde Schiff base ligand. Chinese Journal of Inorganic Chemistry, 2024, 40(12): 2422-2428. doi: 10.11862/CJIC.20240278

Fuhong WAN , Zhaosheng LI , Jian CUI , Xin SU , Yi′neng HUANG . First-principles study of the cation size effect on birefringence in K₃RE(VO₄)₂ (RE=Sc, Y, La, Lu). Chinese Journal of Inorganic Chemistry, 2026, 42(8): 1658-1668. doi: 10.11862/CJIC.20260009

Xichen YAO , Shuxian WANG , Yun WANG , Cheng WANG , Chuang ZHANG . Oxygen reduction performance of self?supported Fe/N/C three-dimensional aerogel catalyst layers. Chinese Journal of Inorganic Chemistry, 2025, 41(7): 1387-1396. doi: 10.11862/CJIC.20240384