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Phys. Chem. Chem. Phys., 2022, 24, 2729
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Electronic and magnetic properties of armchair graphene nanoribbons with 558 grain boundary

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Designing graphene as a new frustrated Lewis pair catalyst for hydrogen activation by co-doping

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Phys. Chem. Chem. Phys., 2016, 18, 11120
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Electric field induced hydrogenation of silicene

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Modulating the electronic and magnetic properties of graphene

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RSC Adv., 2017, 7, 51546
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Defections induced hydrogenation of silicene: a density functional theory calculation study

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Graphene and graphitic derivative filled polymer composites as potential sensors

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Phys. Chem. Chem. Phys., 2015, 17, 3954
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Disclosure of the nano-scale hydrogen dynamics on mono-vacancy graphene: a reactivity study with incoming gases

Nasim Hassani

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Metal-free C2N catalyst with superior H2O/SO2 tolerance for NO reduction with CO during incomplete combustion process

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A Review on Graphene-Based Gas/Vapor Sensors with Unique Properties and Potential Applications

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Graphenes as Metal-Free Catalysts with Engineered Active Sites

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Tunable electronic structure in stained two dimensional van der Waals g-C2N/XSe2 (X = Mo, W) heterostructures

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Humidity tuning CO oxidation on Ti decorated V2CO2 monolayer (MXene) catalyst: A density functional calculation study

Bihai Cai, Junhui Zhou, Didi Li and Zhimin Ao

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Gas adsorption induces the electronic and magnetic properties of metal modified divacancy graphene

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Journal of Physics and Chemistry of Solids, 2020, 136, 109151
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Efficient hydrogen storage in defective graphene and its mechanical stability: A combined density functional theory and molecular dynamics simulation study

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International Journal of Hydrogen Energy, 2021, 46, 5485
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Boosting Ambient Hydrogen Storage in Graphene via Structural and Functional Designs: A Review

Shun Wang, Chaojie Liu and Yongyang Zhu

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Harnessing doped, defect engineered, and functionalized graphene for heavy metal detection and remediation – A DFT-driven approach

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Storing-hydrogen processes on graphene activated by atomic-vacancies

Gagus Ketut Sunnardianto, Isao Maruyama and Koichi Kusakabe

International Journal of Hydrogen Energy, 2017, 42, 23691
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Reversible Hydrophobic to Hydrophilic Transition in Graphene via Water Splitting Induced by UV Irradiation

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A Theory/Experience Description of Support Effects in Carbon-Supported Catalysts

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WS2 monolayer decorated with single-atom Pt for outstanding H2 adsorption and sensing: A DFT study

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Engineering Hydroxyl Functionalization Enables Atomically Precise ZnO Nucleation on Defective Graphene

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ACS Mater. Au, 2025
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The dehydrogenation of butane on metal-free graphene

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The adsorption properties of CHx species on metal modified graphene

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N/P doped porous graphitic carbons as metal-free catalysts for the hydrogenation of sulfoxide to sulfide

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Probing the influence of defects and Si-doping in graphene sheet as an efficacious carrier for drug delivery system in gas and aqua phases - Combined DFT and classical MD simulation

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Hydrogen storage using Na-decorated graphyne and its boron nitride analog

Yang Liu, Wenbo Liu, Rongguo Wang, Lifeng Hao and Weicheng Jiao

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Controlling NO2 adsorption on defective graphene through strain: A DFT study

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Competition between Palladium Clusters and Hydrogen to Saturate Graphene Vacancies

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J. Phys. Chem. C, 2017, 121, 10843
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Adsorption and desorption of hydrogen on/from single-vacancy and double-vacancy graphenes

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NUCL SCI TECH, 2019, 30
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Strain and defect engineering of graphene for hydrogen storage via atomistic modelling

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International Journal of Hydrogen Energy, 2021, 46, 22599
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Facile Solvothermal Synthesis and Gas Sensitivity of Graphene/WO3 Nanocomposites

Yanghai Gui, Junhua Yuan, Weiming Wang, Jianbo Zhao, Junfeng Tian and Bing Xie

Materials, 2014, 7, 4587
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Single-atom supported on graphene grain boundary as an efficient electrocatalyst for hydrogen evolution reaction

Tianwei He, Chunmei Zhang and Aijun Du

Chemical Engineering Science, 2019, 194, 58
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Modified WO3 nanosheets by N-GO nanocomposites to form NO2 sensor

Farzaneh Badiezadeh and Salimeh Kimiagar

Journal of Experimental Nanoscience, 2021, 16, 144
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Dissociative Adsorption of Molecules on Graphene and Silicene

H. Hakan Gürel, V. Ongun Özçelik and S. Ciraci

J. Phys. Chem. C, 2014, 118, 27574
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Insertion of the Liquid Crystal 5CB into Monovacancy Graphene

Paul A. Brown, Jakub Kołacz, Sean A. Fischer, Christopher M. Spillmann and Daniel Gunlycke

Molecules, 2022, 27, 1664
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Theoretical and Experimental Studies of Molecular Interactions between Engineered Graphene and Phosphate Ions for Graphene-Based Phosphate Sensing

Xue Yong, Thiba Nagaraja, Rajavel Krishnamoorthy, Ana Guanes, Suprem R. Das and Natalia Martsinovich

ACS Appl. Nano Mater., 2024, 7, 18386
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