2026-10-13T01:28:44Z https://www.scidb.cn/oai

10.57760/sciencedb.j00186.00692 2025-04-10T08:52:23Z

2025-04-10 Molecular dynamics simulation data of thin film deposition at Ti Si interface and first principles calculation data of surface adsorption energy doi:10.57760/sciencedb.j00186.00692 en This dataset contains two parts: one is the file and analysis results of molecular dynamics used to control the simulation of Ti Si thin film deposition behavior, and the other is the file and analysis results used to control the first principles calculation of Ti adsorption behavior on Si (100) surface.  molecular dynamics; first-principles calculation; Si(100); Ti; deposition 张瀚资 龙开泓 韩韫泽 沈传凯 涂蒙河 张宝亮 RESTRICTED dataset http://www.doi.org/10.1007/s41365-025-01741-0 Science Data Bank