催化电子捐赠的机器学习描述符: 预测氮固定中的吸附能和极限电位
Machine Learning Descriptors for Catalytic Electron Donation： Predicting Adsorption Energies and Limiting Potentials in Nitrogen Fixation
催化电子捐赠的机器学习描述符: 预测氮固定中的吸附能和极限电位 |
| 赵迎, 杨海迪, 柴玉春, 高帅帅, 原鹏飞, 陈雪波 |
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Machine Learning Descriptors for Catalytic Electron Donation： Predicting Adsorption Energies and Limiting Potentials in Nitrogen Fixation |
| ZHAO Ying, YANG Haidi, CHAI Yuchun, GAO Shuaishuai, YUAN Pengfei, CHEN Xuebo |
| Fig.4 Density of states(DOS) of N2 before(A, C, E, G, I) and after(B, D, F, H, J) adsorption on CN⁃B@Sc2(A, B), CN⁃B@V2(C, D), CN⁃B@Fe2(E, F), CN⁃B@Ni2(G, H) and CN⁃B@Cu2(I, J) catalysis |
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