Investigation for oxidation mechanism of CrN: A combination of DFT and ab initio molecular dynamics study

Publication date: 10 December 2021Source: Journal of Alloys and Compounds, Volume 885Author(s): Qingxin Kang, Guofeng Wang, Qing Liu, Xiaochong Sui, Yongkang Liu, Yuqing Chen, Shuyi Luo, Zhenlun Li

Source: Journal of Alloys and Compounds - July 3, 2021 Category: Chemistry Source Type: research