Experimental and DFT study of CoCuMo ternary ionic activator for alkaline HER on Ni cathode

Maslovara, Sladjana Lj.; Anićijević, Dragana Vasić; Brković, Snežana; Georgijević, Jelena; Tasić, Gvozden S.; Kaninski, Milica Marčeta

doi:10.1016/j.jelechem.2019.03.044

Cited by 2 publications

(1 citation statement)

References 30 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…The catalyst also has to break the stronger covalent H–O–H bonds to produce H + for the reaction, instead of the dative covalent bond in H 3 O + ion, which is a weaker interaction. Computer simulations of the H 2 O adsorption and splitting gives insight into the activity of a catalyst in alkaline medium based on the activation of the H–O–H bond (Kou et al 2018 ; Mahmood et al 2018 ; Maslovara et al 2019 ; Mohammed-Ibrahim and Sun 2019 ; Narasimman et al 2021 ).…”

Section: Hydrogen Evolution Reactionmentioning

confidence: 99%

CO2 Utilization Through its Reduction to Methanol: Design of Catalysts Using Quantum Mechanics and Machine Learning

Manae

Dheer

Waghmare

2021

Trans Indian Natl. Acad. Eng.

View full text Add to dashboard Cite

Reducing levels of CO 2 , a greenhouse gas, in the earth’s atmosphere is crucial to addressing the problem of climate change. An effective strategy to achieve this without compromising the scale of industrial activity involves use of renewable energy and waste heat in conversion of CO 2 to useful products. In this perspective, we present quantum mechanical and machine learning approaches to tackle various aspects of thermocatalytic reduction of CO 2 to methanol, using H 2 as a reducing agent. Waste heat can be utilized effectively in the thermocatalytic process, and H 2 can be generated using solar energy in electrolytic, photocatalytic and photoelectrocatalytic processes. Methanol being a readily usable fuel in automobiles, this technology achieves (a) carbon recycling process, (b) use of renewable energy, and (c) portable storage of H 2 for applications in automobiles, alleviating the problem of rising CO 2 emissions and levels in atmosphere.

show abstract