石墨烯
雷亚克夫
氧化物
微观结构
分子动力学
材料科学
化学工程
纳米技术
化学物理
计算化学
化学
复合材料
冶金
原子间势
工程类
作者
Sumit Bawari,Kshama Sharma,Golap Kalita,Madhu Puttegowda,Tharangattu N. Narayanan,Jagannath Mondal
出处
期刊:Materials Chemistry Frontiers
[The Royal Society of Chemistry]
日期:2020-01-01
卷期号:4 (8): 2330-2338
被引量:12
摘要
Microstructure evolution of BCN systems from graphene oxide is studied using ReaxFF assisted molecular dynamics. The resultant theoretical structures are experimentally verified, and HER activity is studied for different microstructure variations.
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