Advances in spin catalysts for oxygen evolution and reduction reactions
Searching for high effective catalysts has been an endless effort to improve the efficiency of
green energy harvesting and degradation of pollutants. In the past decades, tremendous …
green energy harvesting and degradation of pollutants. In the past decades, tremendous …
Review on Magnetism in Catalysis: From Theory to PEMFC Applications of 3d Metal Pt-Based Alloys
The relationship between magnetism and catalysis has been an important topic since the
mid-20th century. At present time, the scientific community is well aware that a full …
mid-20th century. At present time, the scientific community is well aware that a full …
Strongly correlated electrons in catalysis: focus on quantum exchange
The understanding of quantum correlations within catalysts is an active and advanced
research field, absolutely necessary when attempting to describe all the relevant electronic …
research field, absolutely necessary when attempting to describe all the relevant electronic …
Defective h-BN sheet embedded atomic metals as highly active and selective electrocatalysts for NH 3 fabrication via NO reduction
PF Sun, WL Wang, X Zhao, JS Dang - Physical Chemistry Chemical …, 2020 - pubs.rsc.org
NO electrochemical reduction (NOER) is a promising route for the removal of pollutant NO
and the production of ammonia. In this work, by means of first-principles computations, we …
and the production of ammonia. In this work, by means of first-principles computations, we …
Demagnetizing Ferromagnetic Catalysts to the Sabatier Optimal of Haber–Bosch Process
Achieving the Sabatier optimal of a chemical reaction has been the central topic in
heterogeneous catalysis for a century. However, this ultimate goal was greatly hindered in …
heterogeneous catalysis for a century. However, this ultimate goal was greatly hindered in …
Catalysis Meets Spintronics; Spin Potentials Associated with Open-Shell Orbital Configurations Enhance the Activity of Pt3Co Nanostructures for Oxygen Reduction …
One of the main obstacles in the implementation of hydrogen fuel cells (HFC) lies in the
efficiency loss due to the overpotential of the oxygen reduction reaction (ORR). Nowadays …
efficiency loss due to the overpotential of the oxygen reduction reaction (ORR). Nowadays …
Magnetism and Heterogeneous Catalysis: In Depth on the Quantum Spin-Exchange Interactions in Pt3M (M = V, Cr, Mn, Fe, Co, Ni, and Y)(111) Alloys
Bimetallic Pt-based alloys have drawn considerable attention in the last decades as
catalysts in proton-exchange membrane fuel cells (PEMFCs) because they closely fulfill the …
catalysts in proton-exchange membrane fuel cells (PEMFCs) because they closely fulfill the …
Rational design of single-atom catalysts for enhanced electrocatalytic nitrogen reduction reaction
Electrocatalytic reduction of N2 to ammonia (eNRR) provides a sustainable alternative to an
energy-intensive Haber–Bosch process. However, the poor activity and selectivity of the …
energy-intensive Haber–Bosch process. However, the poor activity and selectivity of the …
How advances in theoretical chemistry meet industrial expectations in electrocatalysts for water splitting
Fundamental knowledge about heterogeneous catalysis has significantly advanced in the
last few years due to the awareness of the role of non-weakly correlated electrons in open …
last few years due to the awareness of the role of non-weakly correlated electrons in open …
Quantum fundaments of catalysis: true electronic potential energy
Catalysis is a quantum phenomenon enthalpically driven by electronic correlations with
many-particle effects in all of its branches, including electro-photo-catalysis and electron …
many-particle effects in all of its branches, including electro-photo-catalysis and electron …