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Chemisorption of NO on Pt-decorated graphene as modified nanostructure media: A first principles study

https://doi.org/10.1016/j.apsusc.2015.11.126

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Adsorption behaviour of metronidazole drug molecule on the surface of hydrogenated graphene, boron nitride and boron carbide nanosheets in gaseous and aqueous medium: A comparative DFT and QTAIM insight

inferred← citeshttps://doi.org/10.1016/j.physe.2021.114972openalex-snapshot

In silico design and analysis of Pt functionalized graphene-based FET sensor for COVID-19 biomarkers: A DFT coupled FEM study

inferred← citeshttps://doi.org/10.1016/j.physleta.2019.125975openalex-snapshot

Electronic properties of novel bismuthene nanosheets with adsorption studies of G-series nerve agent molecules – a DFT outlook

inferred← citeshttps://doi.org/10.1016/j.rechem.2026.103136openalex-snapshot

CTF-FUM nanostructure as a potential chemical sensor and delivery vehicle for plant-derived SMCSO: A computational study

inferred← citeshttps://doi.org/10.1016/j.sna.2024.115179openalex-snapshot

Investigation of novel two-dimensional B2CO monolayer and its high sensing performance in detecting nitrogen-containing gases: A combined density functional theory calculation and non-equilibrium Green's function study

inferred← citeshttps://doi.org/10.1016/j.spmi.2018.09.037openalex-snapshot

Effect of metal doping on carbon monoxide adsorption on phosphorene: A first-principles study

inferred← citeshttps://doi.org/10.1016/j.spmi.2021.107036openalex-snapshot

Adsorption mechanism of SO2 on vacancy-defected graphene and Ti doped graphene: A DFT study

inferred← citeshttps://doi.org/10.1016/j.ssc.2025.116108openalex-snapshot

First-principles study of CO adsorption using metal-doped single vacancy defective graphene

inferred← citeshttps://doi.org/10.1016/j.surfin.2023.103154openalex-snapshot

A new insight into transition metal doped graphene nanoribbon for hydrogen sulfide gas adsorption: First principle investigation

inferred← citeshttps://doi.org/10.1016/j.surfin.2025.107944openalex-snapshot

Theoretical insights into the metal decorated black phosphorene for gastric cancer biomarker detection: DFT approach

inferred← citeshttps://doi.org/10.1016/j.susc.2021.121876openalex-snapshot

A density functional theory study of molecular H2S adsorption on (4,0) SWCNT doped with Ge, Ga and B

inferred← citeshttps://doi.org/10.1016/j.susc.2023.122370openalex-snapshot

Hazardous (NO2, NO, CO, CO2, SO2, and NH3) molecules interacting with Pt-decorated β12 borophene. A first-principle study

inferred← citeshttps://doi.org/10.1016/j.synthmet.2015.11.031openalex-snapshot

Adsorption of C2H2 and C2H4 on Pt-decorated graphene nanostructure: Ab-initio study

inferred← citeshttps://doi.org/10.1016/j.tsf.2016.05.055openalex-snapshot

Detailed surface study of adsorbed nickel on Al12N12 nano-cage

inferred← citeshttps://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

inferred← citeshttps://doi.org/10.1016/j.vacuum.2019.109011openalex-snapshot

A DFT study of the enhanced hydrogen storage performance of the Li-decorated graphene nanoribbons

inferred← citeshttps://doi.org/10.1021/acs.jpcb.0c08539openalex-snapshot

Theoretical Insight on the Biosensing Applications of 2D Materials

inferred← citeshttps://doi.org/10.1021/acs.jpcc.1c06140openalex-snapshot

Gas Sensing by Metal and Nonmetal Co-Doped Graphene on a Ni Substrate

inferred← citeshttps://doi.org/10.1021/acsomega.0c01686openalex-snapshot

Designing Novel Zn-Decorated Inorganic B12P12 Nanoclusters with Promising Electronic Properties: A Step Forward toward Efficient CO2 Sensing Materials

inferred← citeshttps://doi.org/10.1021/acsomega.0c05495openalex-snapshot

Outstanding Performance of Transition-Metal-Decorated Single-Layer Graphene-like BC6N Nanosheets for Disease Biomarker Detection in Human Breath

inferred← citeshttps://doi.org/10.1039/c6ra27137eopenalex-snapshot

DFT study of NO adsorption on pristine graphene

inferred← citeshttps://doi.org/10.1039/c7ra08579fopenalex-snapshot

Adsorption sensitivity of graphane decorated with B, N, S, and Al towards HCN: a first-principles study

inferred← citeshttps://doi.org/10.1039/c9ra04589aopenalex-snapshot

Enhanced hydrogen storage performance of graphene nanoflakes doped with Cr atoms: a DFT study

inferred← citeshttps://doi.org/10.1039/d5cy00689aopenalex-snapshot

Research progress in CO 2 and NO x adsorption by two-dimensional materials

inferred← citeshttps://doi.org/10.1039/d6cp02961bopenalex-snapshot

Two-dimensional materials for gas sensing: bridging computational design and experimental synthesis

inferred← citeshttps://doi.org/10.1063/1.5050435openalex-snapshot

Exhaled gas detection by Ir-doped CNT for primary diagnosis of lung cancer

inferred← citeshttps://doi.org/10.1063/5.0061394openalex-snapshot

DFT study of thymine adsorption on Zr doped graphene

inferred← citeshttps://doi.org/10.1080/00268976.2015.1102348openalex-snapshot

Terthiophene as a model sensor for some atmospheric gases: theoretical study

inferred← citeshttps://doi.org/10.1080/00268976.2016.1145748openalex-snapshot

N-doped graphene as a nanostructure adsorbent for carbon monoxide: DFT calculations

inferred← citeshttps://doi.org/10.1080/00268976.2016.1220646openalex-snapshot

Study on the electronic structure of Al12N12 and Al12P12 fullerene-like nano-clusters upon adsorption of CH3F and CH3Cl

inferred← citeshttps://doi.org/10.1080/00268976.2018.1451930openalex-snapshot

Adsorption behaviour of SF6 decomposed species onto Pd4-decorated single-walled CNT: a DFT study

inferred← citeshttps://doi.org/10.1080/00268976.2019.1699184openalex-snapshot

Expedition on surface adsorption of N-nitrosodiethylamine from rubber fumes on blue phosphorene sheets – a first-principles insight

inferred← citeshttps://doi.org/10.1080/00268976.2020.1774089openalex-snapshot

Surface assimilation studies of ethyl methyl sulfide on gamma phosphorene sheets – a DFT outlook

inferred← citeshttps://doi.org/10.1080/00268976.2021.1936248openalex-snapshot

Chlorobenzene and 1, 4-dichlorobenzene adsorption studies on θ-Arsenene nanosheet – a first-principles analysis

inferred← citeshttps://doi.org/10.1080/08927022.2016.1214956openalex-snapshot

Theoretical study of chemisorption of cyanuric fluoride and S-triazine on the surface of Al-doped graphene

inferred← citeshttps://doi.org/10.1080/10255842.2022.2152679openalex-snapshot

BeO nanotube as a promising material for anticancer drugs delivery system

inferred← citeshttps://doi.org/10.1088/1361-648x/ab8bf7openalex-snapshot

Tuning and monitoring of nitrogen dioxide fixation on Cu decorated graphene: a density functional theory study

inferred← citeshttps://doi.org/10.1088/1402-4896/acdccbopenalex-snapshot

To understand the miglitol adsorption behavior on BC3, BN, and GNS nanosheets using DFT and QTAIM analysis for drug delivery applications

inferred← citeshttps://doi.org/10.1088/1742-6596/2307/1/012048openalex-snapshot

Adsorption of NO and NO2 on a M-doped graphene+ semifullerene (C30) surface (M= Ti, Pt, Li): a DFT study

inferred← citeshttps://doi.org/10.1109/jsen.2018.2876637openalex-snapshot

Detecting Decompositions of Sulfur Hexafluoride Using MoS2 Monolayer as Gas Sensor

inferred← citeshttps://doi.org/10.1109/jsen.2018.2881126openalex-snapshot

High Selective SO2 Gas Sensor Based on Monolayer $\beta$ -AsSb to Detect SF6 Decompositions

inferred← citeshttps://doi.org/10.1109/led.2018.2859258openalex-snapshot

Theoretical Study of Monolayer PtSe2 as Outstanding Gas Sensor to Detect SF6 Decompositions

inferred← citeshttps://doi.org/10.1109/lsens.2018.2875473openalex-snapshot

A Promising Gas Sensor Based on Monolayer $\alpha $-SbN to Detect SO2 Among SF6 Decompositions

inferred← citeshttps://doi.org/10.1109/powercon.2018.8602301openalex-snapshot

Determination of Gas Sensing Properties of SF6 Decomposition Components by Pt Modified Graphene

inferred← citeshttps://doi.org/10.1134/s0036024418120385openalex-snapshot

Enhanced Adsorption of SO2 Molecule on Al- and Si-Doped Pyridinic Nitrogen Doped Graphene

inferred← citeshttps://doi.org/10.1134/s0036024420100167openalex-snapshot

Recent Advances on Graphene-Based Gas Sensors

inferred← citeshttps://doi.org/10.1134/s1063782617010225openalex-snapshot

Application of B12N12 and B12P12 as two fullerene-like semiconductors for adsorption of halomethane: Density functional theory study

inferred← citeshttps://doi.org/10.1139/cjc-2017-0346openalex-snapshot

Theoretical study of the CO, NO, and N2 adsorptions on Li-decorated graphene and boron-doped graphene

inferred← citeshttps://doi.org/10.1142/s0217979218503046openalex-snapshot

Adsorption behavior of O2 on vacancy-defected graphene with transition-metal dopants: A theoretical study

inferred← citeshttps://doi.org/10.1142/s273741652150006xopenalex-snapshot

Efficient Cu Decorated Inorganic B12P12Nanoclusters for Sensing Toxic COCl2Gas: A Detailed DFT Study

inferred← citeshttps://doi.org/10.1155/2018/2031805openalex-snapshot

A First-Principles Study on Hydrogen Sensing Properties of Pristine and Mo-Doped Graphene

inferred← citeshttps://doi.org/10.1557/mrc.2018.20openalex-snapshot

Carbon-chain inserting effect on electronic behavior of single-walled carbon nanotubes: a density functional theory study

inferred← citeshttps://doi.org/10.21203/rs.3.rs-3462636/v1openalex-snapshot

Adsorption and activation of SO2 and SO3 over [Fe(CB6)]: A DFT study

inferred← citeshttps://doi.org/10.2139/ssrn.5234585openalex-snapshot

Ab Initio Insights of AU Cluster Decorated Black Phosphorene for Prostate Cancer Biomarker Detection

inferred← citeshttps://doi.org/10.22036/pcr.2016.16428openalex-snapshot

DFT Study of Nitrous Oxide Adsorption on the Surface of Pt-Decorated Graphene

inferred← citeshttps://doi.org/10.3390/app8102010openalex-snapshot

Mono- and Bi-Molecular Adsorption of SF6 Decomposition Products on Pt Doped Graphene: A First-Principles Investigation

inferred← citeshttps://doi.org/10.3390/ma14112829openalex-snapshot

Improving Ammonia Detecting Performance of Polyaniline Decorated rGO Composite Membrane with GO Doping

inferred← citeshttps://doi.org/10.3390/s21061992openalex-snapshot

Recent Developments in Graphene-Based Toxic Gas Sensors: A Theoretical Overview

inferred← citeshttps://doi.org/10.3390/s22093178openalex-snapshot

Green Phosphorene as a Promising Biosensor for Detection of Furan and p-Xylene as Biomarkers of Disease: A DFT Study

inferred← citeshttps://doi.org/10.7498/aps.69.20200539openalex-snapshot

Effect of biaxial strain on the gas-sensing of monolayer GeSe

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