Exploring structural and electronic properties of transition metal carbides (T = Ti, V, Mo, & W) as efficient catalysts for overall water splitting with the DFT study
Tata Sanjay Kanna Sharma, Jayasmita Jana, Beena Mol Babu, Mohamed A. Ghanem, K.C. Bhamu, K. S. S. V. Prasad Reddy, Kuo‐Yuan Hwa, Sung Gu Kang, Jin Suk Chung, Seung Hyun Hur, Won Mook Choi
Abstract
Earth abundant transition metal carbides, including molybdenum carbide (MoC) and tungsten carbide (WC), demonstrate exceptional electrocatalytic performance towards overall water splitting due to their unique electronic and structural properties.
Topics & Concepts
CarbideTransition metalCatalysisMaterials scienceElectronic structureMetalPhysical chemistryCrystallographyComputational chemistryChemistryMetallurgyOrganic chemistryNanomaterials for catalytic reactionsCopper-based nanomaterials and applicationsChemical and Physical Properties of Materials