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.7 Mulliken charge of adsorbed N2(A), volcanic relation between UL andN2 charges(B), linear relationship between Ead and Φ(C), volcanic relation between UL and Φ(D)