Formation energy, mechanical and electronic properties of buckled heptazine ( <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si1.svg"> <mml:mrow> <mml:msub> <mml:mi mathvariant="bold">C</mml:mi> <mml:mn>6</mml:mn> </mml:msub> <mml:msub> <mml:mi mathvariant="bold">N</mml:mi> <mml:mn>8</mml:mn> </mml:msub> </mml:mrow> </mml:math> ) sheet: First-principles calculations
Yusuf Zuntu Abdullahi
Topics & Concepts
Materials scienceDensity functional theoryCrystallographyNanotechnologyCondensed matter physicsComputational chemistryChemistryPhysicsBoron and Carbon Nanomaterials ResearchMXene and MAX Phase MaterialsGraphene research and applications