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Advanced High-/Medium-Mn Steels
Metallic materials, particularly advanced steels with superior properties, are used extensively in almost every aspect of our lives, including...
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Optimizing hydrogen evolution reaction: Computational screening of single metal atom impurities in 2D MXene Nb4C3O2
MXenes, a novel class of 2D transition metal carbides and nitrides, have recently emerged as a promising candidate in the quest for efficient...
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Water adsorption on surfaces of calcium aluminosilicate crystal phase of stone wool: a DFT study
Stone wool is widely used as an efficient thermal insulator within the construction industry; however, its performance can be significantly impacted...
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Details of CO2 electrochemical reduction reaction (CO2ERR) on Mn–MoS2 monolayer: a DFT study
Understanding the detailed mechanism of CO 2 electrochemical reduction (CO 2 ERR) on catalytic surfaces, leading to the formation of carbon one (C 1 )...
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CO2 adsorption enhancement and charge transfer characteristics for composite graphene doped with atoms at defect sites
ContextThe massive emission of carbon dioxide in the world causes global warming and a series of increasingly serious ecological problems. It is...
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Screening MXene-based single-atom catalysts for selective nitrate-to-ammonia electroreduction
Electrocatalytic nitrate reduction to ammonia (NRA) is a promising way to regulate the global nitrogen cycle and synthesize ammonia. The key factor...
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Free-Standing Single-Atom Catalyst-Based Electrodes for CO2 Reduction
Electrochemical CO 2 reduction technology could solve the CO 2 -induced climate warming by electrochemically converting atmospheric CO 2 back into fuel,...
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Jujube shell-derived organic/inorganic nitrogen-doped porous carbon: electrochemical properties and contribution of nitrogen-doped forms to ion adsorption and storage
Biomass-derived nitrogen-doped porous carbon was prepared using jujube shell as the precursor through a two-step process involving activation and...
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Advances on Axial Coordination Design of Single-Atom Catalysts for Energy Electrocatalysis: A Review
Single-atom catalysts (SACs) have garnered increasingly growing attention in renewable energy scenarios, especially in electrocatalysis due to their...
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Linear indium atom chains at graphene edges
The presence of metal atoms at the edges of graphene nanoribbons (GNRs) opens new possibilities toward tailoring their physical properties. We...
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Revealing the role of electrode potential micro-environments in single Mn atoms for carbon dioxide and oxygen electrolysis
Elucidation the relationship between electrode potentials and heterogeneous electrocatalytic reactions has attracted widespread attention. Herein we...
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Adsorption of Cu (II) and Zn (II) in aqueous solution by modified bamboo charcoal
Due to the development of industries such as mining, smelting, industrial electroplating, tanning, and mechanical manufacturing, heavy metals were...
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Interaction of a Titanium Atom with the Surface of Perfect and Defective Carbon Nanotubes
AbstractThe dispersion of metal atoms across the surface of 1D and 2D carbon systems is the most accessible method for controlling their properties,...
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Facile synthesis, structural, morphological and electronic investigation of Mn2O3 nano-rice shape and Mn2O3-rGO hybrid nanocomposite
The hydrothermal method was used to prepare manganese oxide (Mn 2 O 3 ) nanoparticles. Reduced graphene oxide (rGO) powder was sonicated with Mn 2 O 3 ...
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Rational design of heterogenized molecular phthalocyanine hybrid single-atom electrocatalyst towards two-electron oxygen reduction
Single-atom catalysts supported on solid substrates have inspired extensive interest, but the rational design of high-efficiency single-atom...
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Machine-learning-aided Au-based single-atom alloy catalysts discovery for electrochemical NO reduction reaction to NH3
Direct electrochemical conversion of NO to NH 3 has attracted widespread interest as a green and sustainable strategy for both ammonia synthesis and...
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Diode effect in Josephson junctions with a single magnetic atom
Current flow in electronic devices can be asymmetric with bias direction, a phenomenon underlying the utility of diodes
1 and known as non-reciprocal...
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Post-synthetic electrostatic adsorption-assisted fabrication of efficient single-atom Fe-N-C oxygen reduction catalysts for Zn-air batteries
Highly efficient platinum-group metal (PGM)-free electrocatalysts are essential for the large-scale utilization of Zn-air batteries (ZABs). Herein,...
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The atomic interface effect of single atom catalysts for electrochemical hydrogen peroxide production
Producing hydrogen peroxide (H 2 O 2 ) through an electrochemical oxygen reduction reaction (ORR) is a safe, green strategy and a promising alternative...
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3.4.2 Adsorption of C, N, and O on metal surfaces
This document is part of Part 4 'Adsorbate Species on Surfaces and Adsorbate-Induced Surface Core Level Shifts' of Subvolume A 'Adsorbate Layers on...