Effects of support and oxygen vacancies on the energetics of NiO reduction with H₂ for the chemical looping combustion (CLC) reaction; a DFT study

Abstract

Chemical looping combustion (CLC) technology is an innovative energy conversion technology that employs oxygen carriers (OC), typically metal oxides, to burn fossil fuels with a minimal carbon footprint. The performance...

Review on the Theoretical Understanding of Oxygen Carrier Development for Chemical-Looping Technologies

“…Therefore, the oxygen carrier is usually a combination of an active metal oxide and inert support. The influence of the inert support on the oxygen carrier is categorized in two ways: (1) synergy effects at the electronic and atomic scales, which can affect the reaction kinetics and energetics of oxygen carriers; and (2) microstructural effects, such as the increased pore volume, surface area, and dispersion of the active component. , In most cases, the inert supports are considered to enhance the positive performance of the oxygen carrier, the most important of which is to keep the pore structure inside the oxygen carrier particles and to restrain the migration of metal atoms which may lead to the sintering of oxygen carrier particles. Therefore, the addition of inert supports has the ability to improve the reactivity, durability, and fluidity of oxygen carriers.…”