New horizons of MBenes: highly active catalysts for the CO oxidation reaction

Abstract

Searching for materials with high intrinsic carbon monoxide oxidation reaction (COOR) catalytic activity is critical for enhancing the efficiency of reducing CO contamination. COOR catalysts, however, have long relied heavily...

Revealing the Adsorption Behavior of Nitrogen Reduction Reaction on Strained Ti2CO2 by a Spin‐Polarized d‐band Center Model

“…The strategy of introducing oxygen vacancies into catalysts is widely adopted in various fields, and has demonstrated extraordinary adsorption and activation abilities for molecules, such as O 2 , N 2 , CO 2 . [ 4e ] Oxygen vacancies on Ti 2 CO 2 and Ti 3 C 2 O 2 are common in experiments, [ 18 ] and we calculated the formation energy of oxygen vacancy under biaxial tensile strain of Ti 2 CO 2 ‐ v to investigate their synthetic feasibility ( Figure a) before evaluating their catalytic performance. The degree of tensile strain is denoted as ( a − a 0 )/ a 0 , where a 0 and a represent the lattice constant of the supercell before and after applying biaxial tensile strain.…”

“…Specifically, the E Of under 0% strain is calculated to be 4.56 eV, which aligns with previous work, showing the synthetic feasibility. [ 17b,18 ] Third, based on the strained models of Ti 2 CO 2 ‐ v , electronic properties of these slabs were analyzed. Figure S1 (Supporting Information) shows that PDOS of Ti, C, and O atoms are contributed by symmetrical spin‐up and spin‐down states, suggesting that oxygen vacancy does not introduce local magnetic moments.…”

g-ZnO/Si9C15: a S-scheme heterojunction with high carrier mobility for photo-electro catalysis of water splitting

“…21 It has essential applications in optoelectronic devices, 22 gas sensors 23 and photo-catalysis. 13,24 The Si 9 C 15 monolayer has been synthesized recently, 25 and has excellent mechanical properties, 26 tunable electronic properties, and a high thermoelectric efficiency, 27 making it a promising candidate for mechanical, optoelectronic, and energy conversion applications; however, there are few studies on S-scheme heterojunctions with g-ZnO and Si 9 C 15 monolayers as the primary material.…”

MBenes for Energy Conversion: Advances, Bottlenecks, and Prospects

“…The studies of Zhou et al, Wei et al, and Xiong et al have further bolstered the gamut of MBenes with optimizing MAB ternary phase and synthetic protocols (Figure j–l). There are sporadic reports of MBenes applicability toward environmental applications of HER, CO 2 RR, and the nitrogen reduction reaction (NRR) with respect to theoretical foundation and experimental observations. , Recently, there is the growing interest of researchers in escalating the HER, NRR, and CO 2 RR efficiencies of MBenes by tailoring their structural and compositional properties as well depicted in Figure , parts m, n, and o, respectively. Herein, we present an ordered precise commentary on MBenes to address their recent advances, challenges, and prospects for HER, CO 2 RR, and NRR applications.…”