CoChat
Sign Up
Cited by 10Radioactive element chemistry and processingAdsorption and biosorption for pollutant removalChemical Synthesis and Characterization

Functional group influence on uranyl ion adsorption by L-cysteine-grafted graphene oxide: A theoretical study

Open access
Liu, Bo, Sun, Hongjuan, Tang, Xu, Su, XinTing·2025·Ecotoxicology and Environmental Safety
DOI 10.1016/j.ecoenv.2025.118091
Open this paper in CoChat — free account

Abstract

As a highly toxic radioactive contaminant in nuclear waste, the efficient removal of uranyl ions (UO₂²⁺) presents a critical challenge for sustainable nuclear energy applications. In this study, the effects of various functional groups in L-cysteine grafted graphene oxide (L-Cys-GO) on UO₂²⁺ adsorption were systematically investigated through density functional theory (DFT) calculations. Two distinct L-Cys-GO models were constructed to comparatively analyze the interaction mechanisms between UO₂²⁺ and functional groups, including carboxyl (-COOH), hydroxyl (-OH), thiol (-SH), and amino (-NH₂). The results demonstrate that the synergistic effect between the graphene oxide substrate and L-cysteine significantly enhances uranium adsorption capacity. Theoretical calculations reveal that both the central uranium atom and the axial oxygen atoms of UO₂²⁺ serve as coordination sites, with the coordination between functional groups and the central uranium atom dominating the adsorption process. Among the examined functional groups, the -NH 2 group exhibits superior adsorption capability, achieving a maximum adsorption energy of 558.6 kJ/mol. Notably, L-Cys-GO materials prepared via nucleophilic substitution display superior adsorption performance compared to those synthesized through amide reactions. This study provides a theoretical foundation for the design of effective uranyl ion adsorption materials and holds significant implications for nuclear waste management and environmental pollution remediation. Adsorption of uranyl ion by L-cysteine grafted graphene oxide • Functional groups are the effective adsorption sites for uranyl ions. • N-containing amino groups show significant selectivity for uranyl ion adsorption. • Amino groups can achieve a maximum uranyl adsorption energy of 558.6 kJ/mol.

Integrity signals

Registry

Crossref · 10.1016/j.ecoenv.2025.118091

Cites

45 of 45 references verified0 citation errors · 0 not checkable

Statistics

Recomputing p-values needs the paper’s full text.

Claims the paper makes

We couldn’t retrieve this paper’s full text, so its claims and self-check weren’t run. The registry and citation checks still apply.

Claims other papers make about this one

Each is checked against this paper’s own text: does it say what the citing paper says it does?

  • Surface functionalization strategies significantly increase the density and accessibility of active sites while improving structural stability and regeneration potential.

    “Furthermore, surface functionalization strategies significantly increase the density and accessibility of active sites while improving structural stability and regeneration potential.63,64”

    From Emerging nanotechnology approaches for sustainable water treatment and heavy metals removal: a comprehensive review (2025) · cites this paper as [64]

  • Functional groups such as carboxyl (-COOH), amino (-NH2), hydroxyl (-OH), and thiol (-SH) can form strong coordinate or covalent bonds with heavy metal ions, producing stable inner-sphere complexes that enhance adsorption selectivity and capacity.

    “Functional groups such as carboxyl (–COOH), amino (–NH2), hydroxyl (–OH), and thiol (–SH) can form strong coordinate or covalent bonds with heavy metal ions, producing stable inner-sphere complexes that enhance adsorption selectivity and capacity.”

    From Emerging nanotechnology approaches for sustainable water treatment and heavy metals removal: a comprehensive review (2025) · cites this paper as [64]

Cites

Flagged first, then by citations

1 of the 46 references couldn’t be matched to a known paper.

Cited by

Sorted by citations

Related

Authors
Liu, B., Sun, H., Tang, X., & Su, X.
Affiliations
Southwest University of Science and Technology (CN)
Corresponding author
Liu, Bo
ORCID
Venue
Ecotoxicology and Environmental Safety
Publisher
Elsevier BV
Published
2025-04
Volume
294
Pages
118091
ISSN
0147-6513 (ISSN-L)
DOI
10.1016/j.ecoenv.2025.118091
OpenAlex
W4408823475
Cited by
10
References
46
Citations by year
2026: 7 · 2025: 3
FWCI
2.19
Type
journal article
Language
en
Open access
Licence
Locations
  • Ecotoxicology and Environmental Safety (publishedVersion, cc-by-nc-nd)
  • PubMed (publishedVersion)
  • DOAJ (DOAJ: Directory of Open Access Journals) (submittedVersion, cc-by-sa)
Funders
  • Southwest University of Science and Technology (18zx7104)
  • Natural Science Foundation of Sichuan Province (2022NSFSC1035)
Topics
  • Physical Sciences › Chemistry › Inorganic Chemistry › Radioactive element chemistry and processing
  • Physical Sciences › Environmental Science › Water Science and Technology › Adsorption and biosorption for pollutant removal
  • Physical Sciences › Environmental Science › Waste Management and Disposal › Chemical Synthesis and Characterization
Keywords
uranium(VI) adsorption, functional group effects, carboxyl groups, hydroxyl groups, sulfhydryl groups, coordination sites, nucleophilic substitution, nuclear waste remediation, uranium removal
MeSH terms
Density Functional Theory, Adsorption, Cysteine, Graphite, Uranium, Uranium Compounds

About these checks

Registry, retraction, Cites and statistics results are computed, not judged, with one exception: a printed reference that no index lists is read once by a model before it counts as a citation error. Claims are extracted by a model and kept only when their quote appears verbatim in the text; each cited source is then checked, with a model’s help, for whether it says what the claim relies on. Those verdicts can be wrong — read the claim’s quote and the cited source before relying on one.

Statistics and arithmetic are recomputed, not judged.

Confidence bands are shown only for fields calibrated on our annotated test set. None is calibrated yet, so no band is shown.

What counts as a claim ›How we measure confidence ›How we check this ›

Are you an author, or do you see a problem with this page? Request a review