A rational design of functional porous frameworks for electrocatalytic CO 2 reduction reaction
The electrocatalytic CO2 reduction reaction (ECO2RR) is considered one of the approaches
with the most potential to achieve lower carbon emissions in the future, but a huge gap still …
with the most potential to achieve lower carbon emissions in the future, but a huge gap still …
2D MOFs and their derivatives for electrocatalytic applications: Recent advances and new challenges
L Xiao, Z Wang, J Guan - Coordination Chemistry Reviews, 2022 - Elsevier
Metal organic frameworks (MOFs) are promising electrocatalysts due to their high porosity,
large specific surface area and adjustable structure. Especially, two-dimensional (2D) MOFs …
large specific surface area and adjustable structure. Especially, two-dimensional (2D) MOFs …
Theoretical Establishment and Screening of an Efficient Catalyst for N2 Electroreduction on Two-Dimensional Transition-Metal Borides (MBenes)
Electrochemical nitrogen reduction reactions (NRRs) produce ammonia under ambient
conditions, and it is necessary and efficient to explore a high-activity and-selectivity catalyst …
conditions, and it is necessary and efficient to explore a high-activity and-selectivity catalyst …
Screening of the transition metal single atom anchored on α-borophene catalysts as a feasible strategy for electrosynthesis of urea
Theoretical study of the electrochemical CO2 reduction reaction (CO2RR) and N2 reduction
reaction synergistic synthesis of urea via C–N bond coupling, which has provided a high …
reaction synergistic synthesis of urea via C–N bond coupling, which has provided a high …
Screening and prediction of metal-doped α-borophene monolayer for nitric oxide elimination
NH 3 synthesis from air pollutants (NO) exhibits an attractive alternative method to the
traditional Haber–Bosch industrial process. However, it is still challenging due to the kinetic …
traditional Haber–Bosch industrial process. However, it is still challenging due to the kinetic …
Density functional theory calculation of two-dimensional transition metal–hexaiminotriphenylene (TM-HITP) electrocatalytic CO 2 reduction
X Zeng, L Liao, M Wang, H Wang - Catalysis Science & Technology, 2023 - pubs.rsc.org
Carbon dioxide reduction technology can solve the shortage of resources and climate
issues like “warming of the planet”. Metal–organic frameworks (MOFs) contain well-defined …
issues like “warming of the planet”. Metal–organic frameworks (MOFs) contain well-defined …
Screening strategies for diatom metal-doped β-borophene nanosheet catalysts for electrochemical synthesis of ammonia using density functional theory
L Liu, L Yang, H Zhang, W Tuerdi, Z Shang… - Energy & …, 2023 - ACS Publications
Electrocatalysis is a promising approach for ammonia production under ambient conditions.
However, practically, owing to the competing hydrogen evolution reaction (HER), the …
However, practically, owing to the competing hydrogen evolution reaction (HER), the …
Electrocatalytic Biomass Upgrading of Furfural using Transition‐Metal Borides via Density Functional Theory Investigation
Electrocatalytic biomass upgrading has proven to be an effective technique for generating
value‐added products. Herein, the design and development of furfural upgrading using …
value‐added products. Herein, the design and development of furfural upgrading using …
Suppressing the competing hydrogen evolution reaction in CO2 electroreduction: A review
The conversion of CO 2 to valuable chemical products via direct electrochemical reduction
(CO 2 RR) has emerged as a potential means to simultaneously reduce the impact of global …
(CO 2 RR) has emerged as a potential means to simultaneously reduce the impact of global …
Predicted Electrocatalyst Properties on Metal Insulator MoTe2 for Hydrogen Evolution Reaction and Oxygen Reduction Reaction Application in Fuel Cells
Systematic spin-polarized density functional theory (DFT) calculations were executed to
study the catalytic performance of the topological insulator MoTe2 (2H, 1T, and 1T′) phase …
study the catalytic performance of the topological insulator MoTe2 (2H, 1T, and 1T′) phase …