Elastic properties of B, C, N-decorated on planar aluminene using density functional theory

• المؤلفون الرئيسيون: Villagracia, Al Rey C., Ross Pedrosa, Gian, Bayasen, Dhan Shemaiah, Rillera, Audrey, Ong, Hui Lin, Culaba, Alvin B., David, Melanie Y., Arboleda, Nelson B., Jr.
• التنسيق: text
• منشور في: Animo Repository 2019
• الموضوعات: Aluminum—Elastic properties; Density functionals
• الوصول للمادة أونلاين: https://animorepository.dlsu.edu.ph/faculty_research/1183; https://animorepository.dlsu.edu.ph/context/faculty_research/article/2182/type/native/viewcontent

This study investigated the mechanical properties of boron, nitrogen and carbon doped planar aluminene using density functional theory which was implemented through the Vienna Ab Initio Simulation package (VASP). Computations used a generalized gradient approximation (GGA) and the Perdew-Burke-Ernze...