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Published in 2019 at "Electrochemistry Communications"
DOI: 10.1016/j.elecom.2019.05.014
Abstract: Abstract The influence of redox species adsorption on the heterogeneous electron transfer (HET) rate of graphene, as well as the methodology for the rational design of intermolecular interactions to optimize the performance of graphene as…
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Keywords:
oxidized graphene;
redox;
species adsorption;
redox species ... See more keywords
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Published in 2021 at "Inorganic chemistry"
DOI: 10.1021/acs.inorgchem.1c02102
Abstract: It is a prospective tactic to actualize the carbon cycle via CO2 electroreduction reaction (CO2ER) into ethanol, where the crucial point is to design highly active and selective electrocatalysts. In this work, Br-doped CuO multilamellar…
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Keywords:
species adsorption;
adsorption behaviors;
oxygen vacancies;
optimizing intermediate ... See more keywords
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Published in 2022 at "Journal of chemical information and modeling"
DOI: 10.1021/acs.jcim.2c00872
Abstract: Accurate prediction of adsorption energies on heterogeneous catalyst surfaces is crucial to predicting reactivity and screening materials. Adsorption linear scaling relations have been developed extensively but often lack accuracy and apply to one adsorbate and…
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Keywords:
adsorption;
species adsorption;
structure;
using machine ... See more keywords
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Published in 2023 at "Molecules"
DOI: 10.3390/molecules28020639
Abstract: Emerging chromium (Cr) species have attracted increasing concern. A majority of Cr species, especially hexavalent chromium (Cr(VI)), could lead to lethal effects on human beings, animals, and aquatic lives even at low concentrations. One of…
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Keywords:
species adsorption;
removal chromium;
chromium species;
adsorption fundamental ... See more keywords