2D conductive metal–organic frameworks for NO electrochemical reduction: a first-principles study

X Chen, X Zhu, Z Xia, S Qian, Y Zhou, Q Luo… - Journal of Materials …, 2024 - pubs.rsc.org
Designing flexible single-atom catalysts with tunable single-atom centers and coordination
environments is crucial for highly active and selective electrochemical catalysis. Using …

Engineering low-valent molybdenum sites in CoMoO4 nanosheets to boost electrochemical nitrogen-rich wastewater treatment

Y Li, X Chen, Y Yu, K Zhang, Y Cheng, W He… - Applied Catalysis B …, 2024 - Elsevier
Electrochemical coupling nitrate-to-ammonia (NO 3–-to-NH 3) with urea oxidation reaction
(UOR) is attractive for both energy-saving ammonia synthesis and comprehensive nitrogen …

Unveiling the Composition-Dependent Catalytic Mechanism of Pt–Ni Alloys for Oxygen Reduction: A First-Principles Study

Z Xia, X Zhu, X Chen, Y Zhou, Q Luo… - The Journal of Physical …, 2024 - ACS Publications
Unveiling the composition-dependent catalytic mechanism of Pt-based alloy cathodes for
the oxygen reduction reaction (ORR) helps improve the proton exchange membrane fuel …

GC-DFT-Based Dynamic Product Distribution Reveals Enhanced CO2-to-Methanol Electrocatalysis Durability by Heterogeneous CoPc

Z Xu, C Ma, B Tang, J Dong… - The Journal of Physical …, 2024 - ACS Publications
Heterogeneous cobalt phthalocyanine has emerged as a promising molecular catalyst for
electrochemical reduction of CO2 to methanol. Boosting both electrocatalytic durability and …