134 citations · 164 across the 3 of their papers we have counts for
3 papers
Atomistic Simulations of Cation Distribution and Defect Effects on the Performance of Substituted Ferrites
Jiahao Li, Kusma Kumari Cheepurupalli, Niall J. English +2
This study investigates Mn-Zn ferrites (nominal composition \ce{Mn_{0.5}Zn_{0.5}Fe2O4}, MZF) substituted with tetravalent (\ce{Si^{4+}}), trivalent (\ce{Co^{3+}}), and divalent (\c…
Novel Superstructure-Phase Two-Dimensional Material 1-VSe at High Pressure
Raimundas Sereika, Changyong Park, Curtis Kenney-Benson +11
A superstructure can elicit versatile new properties of materials by breaking their original geometrical symmetries. It is an important topic in the layered graphene-like two-dimen…
Hydrogen (H2) Storage in Clathrate Hydrates
Pratim Kumar Chattaraj, Sateesh Bandaru, Sukanta Mondal
Structure, stability and reactivity of clathrate hydrates with or without hydrogen encapsulation are studied using standard density functional calculations. Conceptual density func…