Comparative study of Co3O4(111), CoFe2O4(111), and Fe3O4(111) thin film electrocatalysts for the oxygen evolution reaction
Water electrolysis to produce 'green H2'with renewable energy is a promising option for the
upcoming green economy. However, the slow and complex oxygen evolution reaction at the …
upcoming green economy. However, the slow and complex oxygen evolution reaction at the …
Nanostructured Iron Oxides for Heterogeneous Catalysis
D Zhou, Y Zhou, Y Li, W Shen - EnergyChem, 2024 - Elsevier
Modulating the shape and crystal-phase of nano-sized iron-oxide particles play an essential
role in the design of highly efficient heterogeneous catalysts. Iron oxides usually present as …
role in the design of highly efficient heterogeneous catalysts. Iron oxides usually present as …
Phase diagram and superconductivity of calcium borohyrides at extreme pressures
Motivated by the recent discovery of near-room temperature superconductivity in high-
pressure superhydrides, we investigate from first principles the high-pressure …
pressure superhydrides, we investigate from first principles the high-pressure …
Elucidation of the reaction mechanism for high-temperature water gas shift over an industrial-type copper–chromium–iron oxide catalyst
The water gas shift (WGS) reaction is of paramount importance for the chemical industry, as
it constitutes, coupled with methane reforming, the main industrial route to produce …
it constitutes, coupled with methane reforming, the main industrial route to produce …
Loading Fe3O4 nanoparticles on paper-derived carbon scaffold toward advanced lithium–sulfur batteries
J Han, Q Fu, B **, X Ni, C Yan, J Feng… - Journal of Energy …, 2021 - Elsevier
Lithium–sulfur batteries (LSBs) are regarded as a competitive next-generation energy
storage device. However, their practical performance is seriously restricted due to the …
storage device. However, their practical performance is seriously restricted due to the …
Structural Characterization of Mn3O4(001) Thin Films and Their Interaction with CO
J Barreto, G Fickenscher, C Hohner… - The Journal of …, 2024 - ACS Publications
In this study, we investigated the atomic-level interaction between CO molecules and a well-
ordered Mn3O4 (001) thin film. The oxide film, initially grown on a single-crystal Au (111) …
ordered Mn3O4 (001) thin film. The oxide film, initially grown on a single-crystal Au (111) …
CheKiPEUQ intro 1: Bayesian parameter estimation considering uncertainty or error from both experiments and theory
A common goal is extraction of physico‐chemical parameter values such as pre‐
exponentials and activation energies from experiment. Ever increasing knowledge from …
exponentials and activation energies from experiment. Ever increasing knowledge from …
CO2 Adsorption on Magnetite Fe3O4(111)
We monitored the adsorption of carbon dioxide (CO2) on well-ordered Fe3O4 (111) films
using infrared reflection-adsorption spectroscopy (IRAS) and temperature-programmed …
using infrared reflection-adsorption spectroscopy (IRAS) and temperature-programmed …
Surface structure of magnetite (111) under oxidizing and reducing conditions
We report on differences in the magnetite (111) surface structure when prepared under
oxidizing and reducing conditions. Both preparations were done under UHV conditions at …
oxidizing and reducing conditions. Both preparations were done under UHV conditions at …
Multiple redox mechanisms for water-gas shift reaction on Fe3O4 (1 1 1) surface: A density functional theory and mean-field microkinetic modeling study
P Yoo, P Liao - Applied Surface Science, 2023 - Elsevier
We investigated redox mechanisms for the high temperature (HT) water–gas shift reaction
(WGSR) on the Fe 3 O 4 (1 1 1) surface using density functional theory (DFT) calculations …
(WGSR) on the Fe 3 O 4 (1 1 1) surface using density functional theory (DFT) calculations …