Jin-Rong Huo

Computational design of BC3N2 based single atom catalyst for dramatic activation of inert CO2 and CH4 gases into CH3COOH with ultralow CH4 dissociation barrier

Chaozheng He, Chenxu Zhao, Menghui Xi, 2022, Chinese Chemical Letters.

Theoretical investigation of Agn@(ZnS)42(n=6-16) using first principles: Structural, electronic and optical properties

Yanjing Su, Xiaoxu Wang, Qing Liu, 2019, Progress in Natural Science: Materials International.

Theoretical investigation of geometries, stabilities, electronic and optical properties for advanced Agn@(ZnO)42 (n=6-18) hetero-nanostructure

Rongming Wang, P. Qian, Yao-Wen Hu, 2016 .

Charge-regulated CO2 capture capacity of metal atom embedded graphyne: A first-principles study

Chaozheng He, Ling-Zhi Fu, Z. Jian, 2020 .

The structural, magnetic and optical properties of TMn@(ZnO)42 (TM = Fe, Co and Ni) hetero-nanostructure

Xiaoxu Wang, Yipu Song, Yao-Wen Hu, 2017, Scientific Reports.

Efficient electrocatalytic reduction of NO to ammonia on BC3 nanosheets.

Chaozheng He, Chenxu Zhao, Menghui Xi, 2022, Environmental research.

The study of Fe@FeCo and Fe@FeCo@Au core-shell structure by the First-principles theory

Yanjing Su, Hongquan Song, Xiaoxu Wang, 2018, Materials Chemistry and Physics.

CO2 capture, separation, and storage on MgSiP2 monolayer: A first-principles study

Chaozheng He, Chenxu Zhao, Jin-Rong Huo, 2022, Vacuum.