Catalytic Potential of Post‐Transition Metal Doped Graphene‐Based Single‐Atom Catalysts for the CO2 Electroreduction Reaction
Sign Up to like & getrecommendations! Published in 2022 at "Chemphyschem"
DOI: 10.1002/cphc.202200024
Abstract: Abstract Catalysts are required to ensure electrochemical reduction of CO2 to fuels proceeds at industrially acceptable rates and yields. As such, highly active and selective catalysts must be developed. Herein, a density functional theory study… read more here.
Keywords: metal doped; single atom; doped graphene; based single ... See more keywords
Electronic structure and structural defects in 3d-metal doped In2O3
Sign Up to like & getrecommendations! Published in 2019 at "Journal of Materials Science: Materials in Electronics"
DOI: 10.1007/s10854-019-01775-2
Abstract: Dilute magnetic semiconductors (DMSs) are a highly attractive field of research due to their potential to open new technological functionality. Here, we perform a systematic study of In2O3 thin films with dopant ions of Mn,… read more here.
Keywords: defects metal; structure structural; electronic structure; metal doped ... See more keywords
Transition metal-doped graphene nanoflakes for CO and CO2 storage and sensing applications: a DFT study
Sign Up to like & getrecommendations! Published in 2020 at "Structural Chemistry"
DOI: 10.1007/s11224-020-01579-9
Abstract: The adsorptions of CO and CO2 on pristine and transition metal-doped graphene nanoflakes (GNFs) were theoretically investigated using the density functional theory. Doping of a series of 3d transition metals (TM = Sc, Ti, V, Cr, Mn,… read more here.
Keywords: graphene nanoflakes; transition metal; transition; doped graphene ... See more keywords
Sonocatalytic and photocatalytic efficiency of transition metal-doped ZnO nanoparticles in the removal of organic dyes from aquatic environments
Sign Up to like & getrecommendations! Published in 2019 at "Korean Journal of Chemical Engineering"
DOI: 10.1007/s11814-019-0299-6
Abstract: The present study investigated the efficiency of transition metal-doped ZnO nanoparticles (NPs) in the removal of Direct Blue 71 from aqueous solutions through photocatalytic (UV and visible light) and sonocatalytic processes. The ZnO particles were… read more here.
Keywords: efficiency transition; transition metal; metal doped; efficiency ... See more keywords
Metal-doped graphitic carbon nitride (g-C3N4) as selective NO2 sensors: A first-principles study
Sign Up to like & getrecommendations! Published in 2018 at "Applied Surface Science"
DOI: 10.1016/j.apsusc.2018.06.034
Abstract: In this research, the potential application of metal-doped g-C3N4 as highly sensitive molecule sensors for NO2 detection was studied using density function theory (DFT) calculations. Various metal-doped (Ag-, Au-, Co-, Cr-, Cu-, Fe-, K-, Li-,… read more here.
Keywords: doped c3n4; density; gas molecules; metal doped ... See more keywords
Transition metal doped C3N monolayer as efficient electrocatalyst for carbon dioxide electroreduction: A computational study
Sign Up to like & getrecommendations! Published in 2021 at "Applied Surface Science"
DOI: 10.1016/j.apsusc.2020.148568
Abstract: Abstract Recently, two-dimensional graphitic carbon nitrides have emerged as potential electrocatalysts for CO2 electroreduction (CO2ER). Herein, a series of transition metal (M=Mn-Cu, Ru-Ag) doped C3N monolayer (M-C3N) as a novel CO2ER catalyst has been investigated… read more here.
Keywords: transition metal; metal doped; doped c3n; c3n ... See more keywords
Transition metal-doped α-borophene as potential oxygen and hydrogen evolution electrocatalyst: A density functional theory study
Sign Up to like & getrecommendations! Published in 2020 at "Catalysis Communications"
DOI: 10.1016/j.catcom.2020.106090
Abstract: Abstract Based on density functional theory, transition metal-doped α-borophene was studied as potential electrocatalyst for the oxygen evolution reaction (OER) and the hydrogen evolution reaction (HER). It was found that Ni- and Pd-doped α-borophene sheets… read more here.
Keywords: density functional; evolution; transition metal; metal doped ... See more keywords
Metal-doped ZnFe2O4 nanoparticles derived from Fe-bearing slag with enhanced visible-light photoactivity
Sign Up to like & getrecommendations! Published in 2020 at "Ceramics International"
DOI: 10.1016/j.ceramint.2020.08.048
Abstract: Abstract M-ZnFe2O4 (M = Al, Zn, Cu, Mn) nanoparticles, which are potential photocatalysts, were prepared from Fe-bearing solid waste, namely Waelz slag. The valuable elements, namely Fe, Al, Zn, Cu, and Mn, were extracted from the slag… read more here.
Keywords: slag; doped znfe2o4; metal doped; znfe2o4 ... See more keywords
Synthesis, characterization and photovoltaic applications of noble metal—doped ZnS quantum dots
Sign Up to like & getrecommendations! Published in 2019 at "Chinese Journal of Physics"
DOI: 10.1016/j.cjph.2019.01.012
Abstract: Abstract Un-doped zinc sulphide (ZnS) and noble metal-doped ZnS quantum dots were synthesized by chemical method. The synthesized nanomaterial was characterized by UV-Visible, Fourier Transformed Infra-red Spectrometer (FTIR), Fluorescence, High Resolution Transmission Electron Microscope (HRTEM)… read more here.
Keywords: quantum dots; doped zns; zns; metal doped ... See more keywords
Binding of phenolic model compounds with noble metal doped graphene sheets
Sign Up to like & getrecommendations! Published in 2018 at "Computational and Theoretical Chemistry"
DOI: 10.1016/j.comptc.2018.05.001
Abstract: Abstract Presence of large number of oxygenates in raw bio-oil restrict its application as transportation fuel. Therefore, there is a strong necessity of finding a viable catalyst for upgrading raw bio-oil to transportation fuel level.… read more here.
Keywords: adsorption; doped graphene; metal doped; graphene sheets ... See more keywords
First-principles study on the adsorption of hydrogen cyanide on the metal-doped (8, 0) boron nitride nanotubes
Sign Up to like & getrecommendations! Published in 2019 at "Chemical Physics Letters"
DOI: 10.1016/j.cplett.2019.06.059
Abstract: Abstract In this paper, the adsorption of Hydrogen cyanide (HCN) molecules on metal-doped boron nitride nanotube (BNNT) is studied by using density functional theory (DFT) method. Our calculations indicate that the adsorption energy corresponding to… read more here.
Keywords: adsorption hydrogen; metal; doped boron; adsorption ... See more keywords