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Adsorption and dissociation mechanism of SO2 and H2S on Pt decorated graphene: a DFT-D3 study

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What this work says

Outgoing claims: the papers this work cites, builds on, or argues with.

inferredcites →https://doi.org/10.1002/adma.201502595openalex-snapshot
Recent Developments in Graphene‐Based Membranes: Structure, Mass‐Transport Mechanism and Potential Applications
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Effect of the damping function in dispersion corrected density functional theory
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Graphene‐Based Materials: Synthesis, Characterization, Properties, and Applications
inferredcites →https://doi.org/10.1007/s00894-014-2230-8openalex-snapshot
First-principles vdW-DF study on the enhanced hydrogen storage capacity of Pt-adsorbed graphene
inferredcites →https://doi.org/10.1007/s40094-016-0230-zopenalex-snapshot
DFT study of hydrogen fluoride and sulfur trioxide interactions on the surface of Pt-decorated graphene
inferredcites →https://doi.org/10.1016/0927-0256(96)00008-0openalex-snapshot
Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
inferredcites →https://doi.org/10.1016/j.apsusc.2012.08.083openalex-snapshot
Pt-decorated graphene as superior media for H2S adsorption: A first-principles study
inferredcites →https://doi.org/10.1016/j.apsusc.2015.11.126openalex-snapshot
Chemisorption of NO on Pt-decorated graphene as modified nanostructure media: A first principles study
inferredcites →https://doi.org/10.1016/j.apsusc.2016.01.168openalex-snapshot
First-principles study of SF6 decomposed gas adsorbed on Au-decorated graphene
inferredcites →https://doi.org/10.1016/j.apsusc.2016.06.104openalex-snapshot
H2S adsorption and decomposition on the gradually reduced α-Fe2O3(001) surface: A DFT study
inferredcites →https://doi.org/10.1016/j.bios.2013.11.001openalex-snapshot
High-sensitivity paracetamol sensor based on Pd/graphene oxide nanocomposite as an enhanced electrochemical sensing platform
inferredcites →https://doi.org/10.1016/j.electacta.2016.08.052openalex-snapshot
Mechanism of methanol oxidation on graphene-supported Pt: Defect is better or not?
inferredcites →https://doi.org/10.1016/j.ijhydene.2013.08.057openalex-snapshot
First-principles study of H2 adsorption on the pristine and oxidized (8,0) carbon nanotube
inferredcites →https://doi.org/10.1016/j.matchemphys.2016.07.002openalex-snapshot
Surface study of platinum decorated graphene towards adsorption of NH 3 and CH 4
inferredcites →https://doi.org/10.1016/j.physe.2016.04.030openalex-snapshot
Density functional theory study of the adsorption of MeOH and EtOH on the surface of Pt-decorated graphene
inferredcites →https://doi.org/10.1016/j.pmatsci.2011.03.003openalex-snapshot
Graphene based materials: Past, present and future
inferredcites →https://doi.org/10.1016/j.snb.2016.07.039openalex-snapshot
Adsorption sensitivity of metal atom decorated bilayer graphene toward toxic gas molecules (CO, NO, SO2 and HCN)
inferredcites →https://doi.org/10.1016/j.susc.2009.11.001openalex-snapshot
Structures of Pt clusters on graphene by first-principles calculations
inferredcites →https://doi.org/10.1016/j.synthmet.2015.11.031openalex-snapshot
Adsorption of C2H2 and C2H4 on Pt-decorated graphene nanostructure: Ab-initio study
inferredcites →https://doi.org/10.1016/j.vacuum.2016.05.009openalex-snapshot
Adsorption properties of SO 2 and O 3 molecules on Pt-decorated graphene: A theoretical study
inferredcites →https://doi.org/10.1021/cr00005a013openalex-snapshot
A quantum theory of molecular structure and its applications
inferredcites →https://doi.org/10.1021/ct400694hopenalex-snapshot
Improved Density Dependent Correction for the Description of London Dispersion Forces
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A Determination of the Bond Dissociation Energy (D0(H−SH)): Threshold Ion-Pair Production Spectroscopy (TIPPS) of a Triatomic Molecule
inferredcites →https://doi.org/10.1021/nl0717715openalex-snapshot
A Chemical Route to Graphene for Device Applications
inferredcites →https://doi.org/10.1038/nmat1967openalex-snapshot
Detection of individual gas molecules adsorbed on graphene
inferredcites →https://doi.org/10.1039/b9nr00015aopenalex-snapshot
Nanostructured Pt decorated graphene and multi walled carbon nanotube based room temperature hydrogen gas sensor
inferredcites →https://doi.org/10.1039/c0cp01998dopenalex-snapshot
Bimetallic Pt–Au nanocatalysts electrochemically deposited on graphene and their electrocatalytic characteristics towards oxygen reduction and methanol oxidation
inferredcites →https://doi.org/10.1039/c2jm16386aopenalex-snapshot
Au/graphene hydrogel: synthesis, characterization and its use for catalytic reduction of 4-nitrophenol
inferredcites →https://doi.org/10.1039/c3cc43948hopenalex-snapshot
Graphene-supported Au–Pd bimetallic nanoparticles with excellent catalytic performance in selective oxidation of methanol to methyl formate
inferredcites →https://doi.org/10.1039/c3ta00527eopenalex-snapshot
Environment-friendly facile synthesis of Pt nanoparticles supported on polydopamine modified carbon materials
inferredcites →https://doi.org/10.1039/c3ta01401kopenalex-snapshot
Porous-layered stack of functionalized AuNP–rGO (gold nanoparticles–reduced graphene oxide) nanosheets as a sensing material for the micro-gravimetric detection of chemical vapor
inferredcites →https://doi.org/10.1039/c4ta02581dopenalex-snapshot
Highly enhanced sensitivity of hydrogen sensors using novel palladium-decorated graphene nanoribbon film/SiO 2 /Si structures
inferredcites →https://doi.org/10.1039/c5ra26618aopenalex-snapshot
The hydrogen sensing properties of Pt–Pd/reduced graphene oxide based sensor under different operating conditions
inferredcites →https://doi.org/10.1039/c7cp04021kopenalex-snapshot
The adsorption and diffusion behavior of noble metal adatoms (Pd, Pt, Cu, Ag and Au) on a MoS 2 monolayer: a first-principles study
inferredcites →https://doi.org/10.1063/1.1329672openalex-snapshot
A climbing image nudged elastic band method for finding saddle points and minimum energy paths
inferredcites →https://doi.org/10.1063/1.1677699openalex-snapshot
Virial Field Relationship for Molecular Charge Distributions and the Spatial Partitioning of Molecular Properties
inferredcites →https://doi.org/10.1063/1.458517openalex-snapshot
A simple measure of electron localization in atomic and molecular systems
inferredcites →https://doi.org/10.1063/1.4933110openalex-snapshot
Pt-functionalized reduced graphene oxide for excellent hydrogen sensing at room temperature
inferredcites →https://doi.org/10.1088/0022-3727/49/38/385203openalex-snapshot
Theoretical study of the neutral decomposition of SF 6 in the presence of H 2 O and O 2 in discharges in power equipment
inferredcites →https://doi.org/10.1088/0957-4484/20/18/185504openalex-snapshot
Improving gas sensing properties of graphene by introducing dopants and defects: a first-principles study
inferredcites →https://doi.org/10.1103/physrevb.13.5188openalex-snapshot
Special points for Brillouin-zone integrations
inferredcites →https://doi.org/10.1103/physrevb.39.4997openalex-snapshot
Conjugate gradient minimization of the energy functional: A new method for electronic structure calculation
inferredcites →https://doi.org/10.1103/physrevb.50.17953openalex-snapshot
Projector augmented-wave method
inferredcites →https://doi.org/10.1103/physrevb.59.1758openalex-snapshot
From ultrasoft pseudopotentials to the projector augmented-wave method
inferredcites →https://doi.org/10.1103/physrevlett.77.3865openalex-snapshot
Generalized Gradient Approximation Made Simple
inferredcites →https://doi.org/10.1103/revmodphys.81.109openalex-snapshot
The electronic properties of graphene
inferredcites →https://doi.org/10.22036/pcr.2016.16428openalex-snapshot
DFT Study of Nitrous Oxide Adsorption on the Surface of Pt-Decorated Graphene

What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

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The Small Gas Molecule Sensing Properties of the Au-Doped Stable Black Arsenic Phosphorus Monolayer
inferred← citeshttps://doi.org/10.1002/qua.26888openalex-snapshot
The effect of both Pt decoration and the defects on the adsorption of graphene for SO2
inferred← citeshttps://doi.org/10.1002/slct.201900082openalex-snapshot
Adsorption of Bromonitromethane over Graphene‐Based Substrates: A Density Functional Theory Analysis
inferred← citeshttps://doi.org/10.1007/s00339-018-2064-9openalex-snapshot
Borophene: a promising adsorbent material with strong ability and capacity for SO2 adsorption
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Theoretical studies on adsorption and migration of atoms/ions on the surface of boron, nitrogen and boron nitride doped graphene
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Strong reactivity and electronic sensitivity of Au-decorated BC3 nanotubes toward the phenylpropanolamine drug
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DFT calculation of AsH3 adsorption and dissociation on Ni- and Cu-doped graphene
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Exploration of H2S capture by alkanolamines
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RETRACTED ARTICLE: Theoretical investigation of the adsorption performance of Au-functionalized MoTe2 nanosheets for sensing S containing hydroxymethanesulfonate and thiophenol molecules
inferred← citeshttps://doi.org/10.1007/s11696-022-02183-3openalex-snapshot
The efficiency of n- and p-type doping silicon carbide nanocage toward (NO2, SO2, and NH3) gases
inferred← citeshttps://doi.org/10.1007/s11696-026-04814-5openalex-snapshot
A review of experimental and theoretical insights regarding SO2 oxidation on Pt
inferred← citeshttps://doi.org/10.1016/j.apsusc.2020.146179openalex-snapshot
RETRACTED: Structural, electronic and magnetic properties of the Ni/Cu-embedded S-vacancy defective MoS2 monolayers and their effects on the adsorption of SOx and O3 molecules
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Improving the gas sensing performance of MoS2 nanosheets through silver adsorption: A theoretical study
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Density functional theory study of single Ni atom decorated N-doped graphene for high performance H2S sensor
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WS2 monolayer decorated with single-atom Pt for outstanding H2 adsorption and sensing: A DFT study
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Two-dimensional GeSe monolayer doped with single main-group element atom for hazardous gas detection: A first-principles study
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Rapid detection of H2S gas driven by the catalysis of flower-like α-Bi2Mo3O12 and its visual performance: A combined experimental and theoretical study
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Computational modeling of green hydrogen generation from photocatalytic H2S splitting: Overview and perspectives
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Adsorption performance of SO2 gases over the transition metal/P‒codoped graphitic carbon nitride: A DFT investigation
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Sensitive SO2 gas sensor utilizing Pt-doped graphene nanoribbon: First principles investigation
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Hydrogen sulfide gas sensor using osmium doped graphene nanoribbon: An insights from DFT study
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F-functionalized Sc2C monolayer as a high sensitivity nitrogen-containing gases sensor
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Density functional theory study of hydrogen sulfide adsorption onto transition metal-doped bilayer graphene using external electric fields
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First-principles insights into Au- and B-embedded graphene for detections of NO2 and O3 in air insulated switchgears
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Sensing properties of propylene oxide on Pt and Pd doped graphene sheets: A DFT Investigation
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A novel MoS2/Pd5 nanocluster heterojunction system with improved surface reactivity for efficient gas sensing: A DFT study
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A theoretical study of H2S adsorption and dissociation mechanism on defected graphene doped with Pt
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A DFT study of the adsorption energy and electronic interactions of the SO 2 molecule on a CoP hydrotreating catalyst
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Nanomaterials‐based gas sensors of SF 6 decomposed species for evaluating the operation status of high‐voltage insulation devices
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