Research graph
References from Hydrophobic functionalization of activated carbon for polystyrene microplastic adsorption: A multiscale computational study. Local targets link to admitted publications; unresolved targets remain external evidence.
Microplastics in freshwaters and drinking water: critical review and assessment of data quality
10.1016/j.watres.2019.02.054 · 2019 · External reference
Comparison of microplastic pollution in different water bodies from urban creeks to coastal waters
10.1016/j.envpol.2018.11.081 · 2019 · External reference
A systematic review of airborne microplastics emissions as emerging contaminants in outdoor and indoor air environments
2024 · External reference
Occurrence of microplastics in a pond-river-lake connection water system: how does the aquaculture process affect microplastics in natural water bodies
10.1016/j.jclepro.2022.131632 · 2022 · External reference
Nano) plastics in the environment–sources, fates and effects
10.1016/j.scitotenv.2016.05.041 · 2016 · External reference
Micro- and nanoplastics in the environment: current State of research, sources of origin, health risks, and regulations—a comprehensive review
10.3390/toxics13070564 · 2025 · External reference
Occurrence and distribution of emerging contaminants in wastewater treatment plants: a globally review over the past two decades
10.1016/j.scitotenv.2024.175664 · 2024 · External reference
Adsorptive removal of ibuprofen and diclofenac from water using metal-organic framework-derived porous carbon
10.1016/j.cej.2016.12.127 · 2017 · External reference
Adsorption of diclofenac on mesoporous activated carbons: physical and chemical activation, modeling with genetic programming and molecular dynamic simulation
10.1016/j.cherd.2020.12.025 · 2021 · External reference
Adsorption of textile dye in activated carbons prepared from DVD and CD wastes modified with multi-wall carbon nanotubes: equilibrium isotherms, kinetics and thermodynamic study
10.1016/j.cherd.2018.11.007 · 2019 · External reference
Biochar applications in microplastic and nanoplastic removal: mechanisms and integrated approaches
2025 · External reference
Unresolved reference
External reference
Carbon-based adsorbents for micro/nano-plastics removal: current advances and perspectives
10.20517/wecn.2023.74 · 2024 · External reference
Adsorption efficiency and in-situ catalytic thermal degradation behaviour of microplastics from water over Fe-modified lignin-based magnetic biochar
10.1016/j.seppur.2024.128468 · 2025 · External reference
Carbon-based adsorbents for microplastic removal from wastewater
10.3390/ma17225428 · 2024 · External reference
A DFT theoretical and experimental study about tetracycline adsorption onto magnetic graphene oxide
10.1016/j.molliq.2022.118837 · 2022 · External reference
Adsorption modeling, thermodynamics, and DFT simulation of tetracycline onto mesoporous and high-surface-area NaOH-activated macroalgae carbon
10.1016/j.jhazmat.2021.127887 · 2022 · External reference
Adsorptive removal of anthracene from water by biochar derived amphiphilic carbon dots decorated with chitosan
10.1016/j.chemosphere.2024.141248 · 2024 · External reference
Adsorption of tetracycline by polycationic straw: density functional theory calculation for mechanism and machine learning prediction for tetracyclines’ remediation
10.1016/j.envpol.2023.122869 · 2024 · External reference
Kinetic and mechanistic analysis of phenol adsorption on activated carbons from Kenaf
10.3390/molecules29204941 · 2024 · External reference
Molecular simulation combined with DFT calculation guided heteroatom-doped biochar rational design for highly selective and efficient CO2 capture
2024 · External reference
Experimental and DFT insights into the adsorption competition of two cationic dyes on activated carbon derived from walnut shells in aqueous solutions
2024 · External reference
Evaluation of activated carbon fiber packed-bed for the treatment of gas-to-liquid wastewater: experimental, modeling and ASPEN adsorption simulation
10.1007/s42247-024-00846-3 · 2025 · External reference
Molecular simulation study on the adsorption mechanisms of microbial components and metabolic products on activated carbon in HVAC systems
10.3390/pr12122763 · 2024 · External reference
Adsorption and diffusion characteristics of CO2 and CH4 in anthracite pores: molecular Dynamics simulation
10.3390/pr12061131 · 2024 · External reference
Fe-doped graphene nanosheet as an adsorption platform of harmful gas molecules (CO, CO2, SO2 and H2S), and the co-adsorption in O2 environments
10.1016/j.apsusc.2017.08.216 · 2018 · External reference
A density functional theory analysis for the adsorption of the amine group on graphene and boron nitride nanosheets
10.1007/s00894-012-1539-4 · 2013 · External reference
Density functional theory analyses of an iron-doped nanocage for the adsorption of allopurinol drug towards the development of novel carriers
10.1016/j.comptc.2024.114664 · 2024 · External reference
Theoretical elucidation of the amino acid interaction with graphene and functionalized graphene nanosheets: insights from DFT calculation and MD simulation
10.1007/s00726-020-02905-5 · 2020 · External reference
Screening of the structural, topological, and electronic properties of the functionalized Graphene nanosheets as potential Tegafur anticancer drug carriers using DFT method
10.1080/07391102.2017.1360209 · 2018 · External reference
The interaction mechanism of polystyrene microplastics with pharmaceuticals and personal care products
10.1016/j.scitotenv.2022.160632 · 2023 · External reference
Functionality-dependent removal efficiency and mechanisms of polystyrene microplastics by a robust magnetic biochar
10.1016/j.jece.2025.115509 · 2025 · External reference
Theoretical and experimental investigation on rapid and efficient adsorption characteristics of microplastics by magnetic sponge carbon
10.1016/j.scitotenv.2023.165404 · 2023 · External reference
Unresolved reference
External reference
The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errors
10.1080/00268977000101561 · 1970 · External reference
Unresolved reference
2012 · External reference
Multiwfn: a multifunctional wavefunction analyzer
10.1002/jcc.22885 · 2012 · External reference
VMD: visual molecular dynamics
10.1016/0263-7855(96)00018-5 · 1996 · External reference
From first principal study to continuum modeling: competitive gas adsorption in microporous PIM membranes
10.1039/d5cp02643a · 2026 · External reference
Theoretical investigation of the sensing performance of XCN and Y2S (X= H, Cl and Y= H, O) hazardous gases by pristine and decorated Be10O10 nanoring. A DFT perspective
10.1007/s11224-024-02374-6 · 2025 · External reference
Modeling of magnesium-decorated graphene quantum dot nanostructure for trapping AsH 3, PH 3 and NH 3 gases
10.1039/d3ra01279d · 2023 · External reference
Competition and interplay between σ-hole and π-hole interactions: a computational study of 1: 1 and 1: 2 complexes of nitryl halides (O2NX) with ammonia
10.1021/jp300540z · 2012 · External reference
Atoms in molecules
10.1021/ar00109a003 · 1985 · External reference
A theoretical investigation of the competition between σ-and π-holes on the stability of cyclic complexes resulting from the interaction between po₂cl and HSX molecules (X= F, Cl, Br, and I)
10.1016/j.comptc.2025.115142 · 2025 · External reference
On the importance of π-stacking interactions in the complexes of copper and zinc bearing pyridine-2, 6-dicarboxylic acid N-oxide and N-donor auxiliary ligands
10.1039/d2ce00656a · 2022 · External reference
Unresolved reference
1997 · External reference
Quantum study of the competition and interplay between complexes resulting from the interaction of methylamine and halogen cyanides
10.1016/j.comptc.2024.114779 · 2024 · External reference
Unveiling σ-and π-hole interactions in COSe-XCN (X= F, Cl, Br, and I): theoretical insights into halogen substitution effects
2025 · External reference
Multiwfn: a multifunctional wavefunction analyzer
10.1002/jcc.22885 · ExternalCitation · doi-reference
Theoretical elucidation of the amino acid interaction with graphene and functionalized graphene nanosheets: insights from DFT calculation and MD simulation
10.1007/s00726-020-02905-5 · ExternalCitation · doi-reference
A density functional theory analysis for the adsorption of the amine group on graphene and boron nitride nanosheets
10.1007/s00894-012-1539-4 · ExternalCitation · doi-reference
Theoretical investigation of the sensing performance of XCN and Y2S (X= H, Cl and Y= H, O) hazardous gases by pristine and decorated Be10O10 nanoring. A DFT perspective
10.1007/s11224-024-02374-6 · ExternalCitation · doi-reference
Evaluation of activated carbon fiber packed-bed for the treatment of gas-to-liquid wastewater: experimental, modeling and ASPEN adsorption simulation
10.1007/s42247-024-00846-3 · ExternalCitation · doi-reference
VMD: visual molecular dynamics
10.1016/0263-7855(96)00018-5 · ExternalCitation · doi-reference
Fe-doped graphene nanosheet as an adsorption platform of harmful gas molecules (CO, CO2, SO2 and H2S), and the co-adsorption in O2 environments
10.1016/j.apsusc.2017.08.216 · ExternalCitation · doi-reference
Adsorptive removal of ibuprofen and diclofenac from water using metal-organic framework-derived porous carbon
10.1016/j.cej.2016.12.127 · ExternalCitation · doi-reference
Adsorptive removal of anthracene from water by biochar derived amphiphilic carbon dots decorated with chitosan
10.1016/j.chemosphere.2024.141248 · ExternalCitation · doi-reference
Adsorption of textile dye in activated carbons prepared from DVD and CD wastes modified with multi-wall carbon nanotubes: equilibrium isotherms, kinetics and thermodynamic study
10.1016/j.cherd.2018.11.007 · ExternalCitation · doi-reference
Adsorption of diclofenac on mesoporous activated carbons: physical and chemical activation, modeling with genetic programming and molecular dynamic simulation
10.1016/j.cherd.2020.12.025 · ExternalCitation · doi-reference
Density functional theory analyses of an iron-doped nanocage for the adsorption of allopurinol drug towards the development of novel carriers
10.1016/j.comptc.2024.114664 · ExternalCitation · doi-reference
Quantum study of the competition and interplay between complexes resulting from the interaction of methylamine and halogen cyanides
10.1016/j.comptc.2024.114779 · ExternalCitation · doi-reference
A theoretical investigation of the competition between σ-and π-holes on the stability of cyclic complexes resulting from the interaction between po₂cl and HSX molecules (X= F, Cl, Br, and I)
10.1016/j.comptc.2025.115142 · ExternalCitation · doi-reference
Comparison of microplastic pollution in different water bodies from urban creeks to coastal waters
10.1016/j.envpol.2018.11.081 · ExternalCitation · doi-reference
Adsorption of tetracycline by polycationic straw: density functional theory calculation for mechanism and machine learning prediction for tetracyclines’ remediation
10.1016/j.envpol.2023.122869 · ExternalCitation · doi-reference
Occurrence of microplastics in a pond-river-lake connection water system: how does the aquaculture process affect microplastics in natural water bodies
10.1016/j.jclepro.2022.131632 · ExternalCitation · doi-reference
Functionality-dependent removal efficiency and mechanisms of polystyrene microplastics by a robust magnetic biochar
10.1016/j.jece.2025.115509 · ExternalCitation · doi-reference
Adsorption modeling, thermodynamics, and DFT simulation of tetracycline onto mesoporous and high-surface-area NaOH-activated macroalgae carbon
10.1016/j.jhazmat.2021.127887 · ExternalCitation · doi-reference
A DFT theoretical and experimental study about tetracycline adsorption onto magnetic graphene oxide
10.1016/j.molliq.2022.118837 · ExternalCitation · doi-reference
Nano) plastics in the environment–sources, fates and effects
10.1016/j.scitotenv.2016.05.041 · ExternalCitation · doi-reference
The interaction mechanism of polystyrene microplastics with pharmaceuticals and personal care products
10.1016/j.scitotenv.2022.160632 · ExternalCitation · doi-reference
Theoretical and experimental investigation on rapid and efficient adsorption characteristics of microplastics by magnetic sponge carbon
10.1016/j.scitotenv.2023.165404 · ExternalCitation · doi-reference
Occurrence and distribution of emerging contaminants in wastewater treatment plants: a globally review over the past two decades
10.1016/j.scitotenv.2024.175664 · ExternalCitation · doi-reference
Adsorption efficiency and in-situ catalytic thermal degradation behaviour of microplastics from water over Fe-modified lignin-based magnetic biochar
10.1016/j.seppur.2024.128468 · ExternalCitation · doi-reference
Microplastics in freshwaters and drinking water: critical review and assessment of data quality
10.1016/j.watres.2019.02.054 · ExternalCitation · doi-reference
Atoms in molecules
10.1021/ar00109a003 · ExternalCitation · doi-reference
Competition and interplay between σ-hole and π-hole interactions: a computational study of 1: 1 and 1: 2 complexes of nitryl halides (O2NX) with ammonia
10.1021/jp300540z · ExternalCitation · doi-reference
On the importance of π-stacking interactions in the complexes of copper and zinc bearing pyridine-2, 6-dicarboxylic acid N-oxide and N-donor auxiliary ligands
10.1039/d2ce00656a · ExternalCitation · doi-reference
Modeling of magnesium-decorated graphene quantum dot nanostructure for trapping AsH 3, PH 3 and NH 3 gases
10.1039/d3ra01279d · ExternalCitation · doi-reference
From first principal study to continuum modeling: competitive gas adsorption in microporous PIM membranes
10.1039/d5cp02643a · ExternalCitation · doi-reference
The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errors
10.1080/00268977000101561 · ExternalCitation · doi-reference
Screening of the structural, topological, and electronic properties of the functionalized Graphene nanosheets as potential Tegafur anticancer drug carriers using DFT method
10.1080/07391102.2017.1360209 · ExternalCitation · doi-reference
Carbon-based adsorbents for micro/nano-plastics removal: current advances and perspectives
10.20517/wecn.2023.74 · ExternalCitation · doi-reference
Carbon-based adsorbents for microplastic removal from wastewater
10.3390/ma17225428 · ExternalCitation · doi-reference
Kinetic and mechanistic analysis of phenol adsorption on activated carbons from Kenaf
10.3390/molecules29204941 · ExternalCitation · doi-reference
Adsorption and diffusion characteristics of CO2 and CH4 in anthracite pores: molecular Dynamics simulation
10.3390/pr12061131 · ExternalCitation · doi-reference
Molecular simulation study on the adsorption mechanisms of microbial components and metabolic products on activated carbon in HVAC systems
10.3390/pr12122763 · ExternalCitation · doi-reference
Micro- and nanoplastics in the environment: current State of research, sources of origin, health risks, and regulations—a comprehensive review
10.3390/toxics13070564 · ExternalCitation · doi-reference
