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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

2024Materials Today Communications31 citationsDOI

Topics & Concepts

Materials sciencePhase (matter)Ambient pressureThermodynamicsOrganic chemistryChemistryPhysicsMXene and MAX Phase MaterialsBoron and Carbon Nanomaterials Research2D Materials and Applications
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 | Litcius