Recent Advances in Atomic‐Level Engineering of Nanostructured Catalysts for Electrochemical CO2 Reduction
Sign Up to like & getrecommendations! Published in 2020 at "Advanced Functional Materials"
DOI: 10.1002/adfm.201910534
Abstract: Electrochemical reduction of CO2 into value‐added chemicals provides a promising approach to mitigate climate change caused by CO2 from excess consumption of fossil fuels. As the CO2 molecule is chemically inert and the reaction kinetics… read more here.
Keywords: atomic level; reduction; co2 reduction; recent advances ... See more keywords
Atomic‐Level Design of Active Site on Two‐Dimensional MoS2 toward Efficient Hydrogen Evolution: Experiment, Theory, and Artificial Intelligence Modelling
Sign Up to like & getrecommendations! Published in 2022 at "Advanced Functional Materials"
DOI: 10.1002/adfm.202206163
Abstract: Atom‐economic catalysts open a new era of computationally driven atomistic design of catalysts. Rationally manipulating the structures of the catalyst with atomic‐level precision would definitely play a significant role in the future chemical industry. Of… read more here.
Keywords: atomic level; artificial intelligence; design; active site ... See more keywords
Atomic-Level Customization of 4 in. Transition Metal Dichalcogenide Multilayer Alloys for Industrial Applications.
Sign Up to like & getrecommendations! Published in 2019 at "Advanced materials"
DOI: 10.1002/adma.201901405
Abstract: Despite many encouraging properties of transition metal dichalcogenides (TMDs), a central challenge in the realm of industrial applications based on TMD materials is to connect the large-scale synthesis and reproducible production of highly crystalline TMD… read more here.
Keywords: atomic level; industrial applications; mos1 se0; transition metal ... See more keywords
Atomic‐Level Regulated 2D ReSe2: A Universal Platform Boostin Photocatalysis
Sign Up to like & getrecommendations! Published in 2023 at "Advanced Materials"
DOI: 10.1002/adma.202210164
Abstract: Solar hydrogen (H2) generation via photocatalytic water splitting is practically promising, environmentally benign, and sustainably carbon neutral. It is important therefore to understand how to controllably engineer photocatalysts at the atomic level. In this work,… read more here.
Keywords: platform; rese2; spectroscopy; atomic level ... See more keywords
Atomic‐Level Reactive Sites for Semiconductor‐Based Photocatalytic CO2 Reduction
Sign Up to like & getrecommendations! Published in 2020 at "Advanced Energy Materials"
DOI: 10.1002/aenm.201903879
Abstract: Photocatalytic CO2 reduction is an effective means to generate renewable energy. It involves redox reactions, reduction of CO2 and oxidation of water, that leads to the production of solar fuel. Significant research effort has therefore… read more here.
Keywords: reactive sites; atomic level; photocatalytic co2; reduction ... See more keywords
Atomic-Level Pt Electrocatalyst Synthesized via Iced Photochemical Method for Hydrogen Evolution Reaction with High Efficiency.
Sign Up to like & getrecommendations! Published in 2022 at "Small"
DOI: 10.1002/smll.202203422
Abstract: In heterogeneous catalysis, metal particle morphology and size can influence markedly the activity. It is of great significance to rationally design and control the synthesis of Pt at the atomic level to demonstrate the structure-activity… read more here.
Keywords: atomic level; level; iced photochemical; evolution reaction ... See more keywords
Chapter model systems in heterogeneous catalysis at the atomic level: a personal view
Sign Up to like & getrecommendations! Published in 2020 at "Science China Chemistry"
DOI: 10.1007/s11426-019-9671-0
Abstract: The review presents an overview of studies in the surface science of oxide and related surfaces with an emphasis of the studies performed in the authors’ group. Novel instruments and technique developments, as well as… read more here.
Keywords: atomic level; heterogeneous catalysis; catalysis atomic; model systems ... See more keywords
Strong Correlation Between Atomic-Level Pressures and Viscous Shear Relaxations in Liquids
Sign Up to like & getrecommendations! Published in 2019 at "JOM"
DOI: 10.1007/s11837-019-03889-8
Abstract: Liquids are ubiquitous, but the atomic origin of viscosity remains unknown because of structural disorder and dynamic complexities. By using molecular dynamics simulation for liquid iron, we find a strong local correlation between the atomic-level… read more here.
Keywords: shear stress; correlation atomic; atomic level; level ... See more keywords
Atomic-level mechanism of the effects of NOx species on Pb adsorption over the Al2O3 sorbent surface
Sign Up to like & getrecommendations! Published in 2021 at "Applied Surface Science"
DOI: 10.1016/j.apsusc.2021.151217
Abstract: Abstract NOx is widely considered to be one of the most important components in the flue gas. A systematically theoretical study based on density functional theory was conducted to provide an atomic-level understanding of the… read more here.
Keywords: adsorption al2o3; al2o3 surface; surface; atomic level ... See more keywords
An atomic-level understanding of the strengthening mechanism of aluminum matrix composites reinforced by aligned carbon nanotubes
Sign Up to like & getrecommendations! Published in 2017 at "Computational Materials Science"
DOI: 10.1016/j.commatsci.2016.11.032
Abstract: Abstract In this paper, the strengthening and the deformation mechanisms associated with the aligned dispersion of single-walled carbon nanotubes (CNTs) in an aluminum matrix composite (AMC) are investigated at the atomic level. Our molecular dynamics… read more here.
Keywords: aluminum matrix; reinforced aligned; carbon nanotubes; atomic level ... See more keywords
The effect of enthalpy of mixing on the atomic level structure and plasticity of amorphous alloys: A molecular dynamics simulation study in a binary model system
Sign Up to like & getrecommendations! Published in 2018 at "Intermetallics"
DOI: 10.1016/j.intermet.2017.09.006
Abstract: Abstract Molecular dynamics simulations were performed to investigate the effect of the enthalpy of mixing on the atomic level structure and plasticity of binary metallic glasses by using an ideal model potential. Whereas some model… read more here.
Keywords: molecular dynamics; atomic level; amorphous alloys; structure ... See more keywords