DFT study of common anions adsorption at graphene surface due to anion-π interaction.

Fan Xiaozhen, Liu Xing, He Zhenglin, Zhu Kaiyuan, Shi Guosheng

Abstract read

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Article in Journal of molecular modeling, 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 5 papers.

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5citing papers in PubMed

–field-weighted citation impact

1 · What the graph read from it

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2 · The registry

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3 · Its place in the literature

Who cites it

5 citing papers in PubMed.

Cofactor-independent photo-enzymatic reductions with water mediated by reductive graphene quantum dots.Nature communications · 2025
Article
Li adsorption and diffusion on the surfaces of molybdenum dichalcogenides MoXJournal of molecular modeling · 2023
Article
Colloidal stability of graphene in aqueous medium: a theoretical approach through molecular dynamics.Journal of molecular modeling · 2023
Article
Fertilizer-Holding Performance of Graphene on Soil Colloids Based on Double Electric Layer Theory.Materials (Basel, Switzerland) · 2023
Article
Capturing charge and size effects of ions at the graphene-electrolyte interface using polarizable force field simulations.Nanoscale advances · 2023
Article

4 · The record

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5 · Who and what money

Authors and funding

5 authors.

Fan XiaozhenState Key Lab. Advanced Special Steel, Shanghai Applied Radiation Institute, Shanghai University, Shanghai, 200444, China.

Liu XingState Key Lab. Advanced Special Steel, Shanghai Applied Radiation Institute, Shanghai University, Shanghai, 200444, China. liuxing0215@shu.edu.cn.

He ZhenglinState Key Lab. Advanced Special Steel, Shanghai Applied Radiation Institute, Shanghai University, Shanghai, 200444, China.

Zhu KaiyuanSchool of Science, East China University of Science and Technology, Shanghai, 200237, China.

Shi GuoshengState Key Lab. Advanced Special Steel, Shanghai Applied Radiation Institute, Shanghai University, Shanghai, 200444, China.

Funding

National Natural Science Foundation of China 12105166National Natural Science Foundation of China U1932123

6 · The paper itself

Abstract

Using density functional theory (DFT) calculations, we researched the different anions adsorption on the graphene and found that anions can be stably adsorbed on the graphene surface due to the anion-π interaction. The adsorption energy decreased as the order of HPO

Indexed as

Anion-π interactionDFTGraphene

Identifiers

PMID35857141

DOI10.1007/s00894-022-05218-4

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Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.