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Browsing by Subject Density functional theory

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Showing results 1 to 5 of 5

Issue Date	Title	Author(s)
2020	Chemical potential shift of k-doped titanium carbonitrides and titanium carbides (Mxenes)	Warakorn Jindata
2023	Mechanistic study of 5−hydroxymethylfurfural to 2,5−furandicarboxylic acid on beta−manganese dioxide catalysts: first principles informed microkinetic analysis	Suwit Suthirakun; Bunrat Tharat
2020	Mechanistic study of ethylene carbonate decomposition on carbon anode of sodium-ion batteries	Panuwat Watthaisong
2022	Transition metal and nitrogen co-doped graphdiyne as a cathode material of lithium-sulfur batteries: a first-principles study	Suwit Suthirakun; Sirisak Singsen
2023	Unraveling the role of hydrogen insertion in enhancing electrochemical performance of vanadium pentoxide cathode for magnesium-ion batteries: A first-principles study	Suwit Suthirakun; Panupol Untarabut

Showing results 1 to 5 of 5