Adsorptions and diffusions of carbon atoms on the surface and in the subsurface of Co (200): A first-principles density-functional study
- ISSN号:1674-1056
- 期刊名称:《中国物理B:英文版》
- 时间:0
- 分类:O641.121[理学—物理化学;理学—化学] TM912[电气工程—电力电子与电力传动]
- 作者机构:[1]College.of Materials Science and Engineering, Jilin University, Changchun 130012, China, [2]'College of Science, Changchun University, Changchun 130022, China, [3]State Key Laboratory of Theoretical and Computational Chemistry, Jilin University, Changchun 130012, China, [4]Light Industry College, Liaoning University, Shenyang 110036, China
- 相关基金:Project supported by the National Natural Science Foundation of China (Grant Nos. 51002014, 51202017, and 51372095), the Research Fund for the Doctoral Program of Higher Education of China (Grant No. 20120061120039), the Funds from the Science and Technology Department of Jilin Province, China (Grant Nos. 20120745 and 20130101029JC), the Funds from the Department of Education of Jilin Province, China (Grant No. 2013279), and the Youth Science Research Foundation of Liaoning University, China (Grant No. 2013LDQN20).
关键词:
第一原理计算, 密度泛函理论, 表面偏析, 吸附结构, 碳原子, 扩散, 化学气相沉积, 钴, adsorption, diffusion, carbon, Co surface, first-principles calculations
中文摘要:
Corresponding author. E-mail: zengyi@jlu.edu.cn
Corresponding author. E-mail: wtzheng@jlu.edu.cn