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

• Main Authors: 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.
• Format: text
• Published: Animo Repository 2019
• Subjects: Aluminum—Elastic properties; Density functionals
• Online Access: https://animorepository.dlsu.edu.ph/faculty_research/1183; https://animorepository.dlsu.edu.ph/context/faculty_research/article/2182/type/native/viewcontent
• Institution: De La Salle University

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...