Pourbaix图
掺杂剂
化学
化学稳定性
催化作用
热力学
结构稳定性
计算化学
氧气
人口
物理化学
化学物理
理论(学习稳定性)
兴奋剂
无机化学
粘结长度
析氧
过渡金属
金属
化学键
分子
相图
结晶学
密度泛函理论
分子几何学
多相催化
混合功能
分子动力学
作者
Aiqing Cao,Susu Zhao,Anuj Kumar,Hao Sun,Mengwei Chen,Quandong Zhang,Bichen Yuan,Wenhai Xu,Yaling Zhang,Yu Zhang,Hui Li,Daojin Zhou,KANGMING LI,Fengmei Wang,Yaping Li,Haijun Xu,Xiaoming Sun
摘要
formation. This led to a volcano-type relationship between the SR and BLs, establishing two thresholds for dopant selection. Finally, eight dopants (Rh, Zn, Ga, Bi, Mn, Nb, Sn, and Os) were identified at the volcano peak, consistent with the experiments. Together, these thermodynamic structural descriptors offer a robust, universal framework for screening stable Ru-based electrocatalysts.
科研通智能强力驱动
Strongly Powered by AbleSci AI