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 |
|
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.2 Formation energy of all CN⁃B@M2 catalysts(A), adsorption energy of H+ and N2 in all CN⁃B@M2 catalysts(B) and the most stable adsorption configuration of N2 on all N⁃B@M2 catalysts(C) |
|
|