DFT study on the structural, mechanical, electronic, optical and thermodynamic properties of recently synthesized MAX Phase compounds A3InC2 (A= Zr, Hf) under ambient and elevated pressure
Rukaia Khatun, Md. Atikur Rahman, Dayal Chandra Roy, Anjuman Ara Khatun, Mukter Hossain, Upasana Rani, Peeyush Kumar Kamlesh, Ahmad Irfan, Sarah Chaba Mouna
Topics & Concepts
Materials sciencePhase (matter)Ambient pressureThermodynamicsOrganic chemistryChemistryPhysicsMXene and MAX Phase MaterialsBoron and Carbon Nanomaterials Research2D Materials and Applications