Computational and Theoretical Chemistry
First principles study on mechanical and electronic properties of high pressure phases of 2D black phosphorus and their titanium-doped systems
Publication date: Available online 8 December 2025Source: Computational and Theoretical ChemistryAuthor(s): Jinchao Qiao, Qiang Zhou, Fan Bai, Rufei Qiao, Zhuwen Lyu, Longhai Zhong, Junbo Yan, Peng Si