Computational screening toward quantum capacitance of transition-metals and vacancy doped/co-doped graphene as electrode of supercapacitors

B Zhang, Z Peng, L Song, X Wu, X Fu - Electrochimica Acta, 2021 - Elsevier
It is of importance to explore electrode materials with high specific capacitance, improving
energy density of supercapacitors. Generally, the composition and structure of electrode …

QCM nanocomposite gas sensors–Expanding the application of waterborne polymer composites based on graphene nanoribbon

A Trajcheva, N Politakos, BT Perez, Y Joseph, JB Gilev… - Polymer, 2021 - Elsevier
Graphene nanoribbons (GNR) are narrow strips of graphene in one dimensional
morphology with extraordinary properties, owing to the large edges that offer numerous …

The influence of different functional groups on quantum capacitance, electronic and optical properties of Hf2C MXene

MZ Liu, XH Li, XH Cui, HT Yan, RZ Zhang… - Applied Surface Science, 2022 - Elsevier
Density functional theory was used to explore the electronic properties, optical properties,
and quantum capacitance of bare Hf 2 C and functionalized Hf 2 CT 2 (T=-O,-S,-Se,-F,-Cl …

DFT analysis of H2S adsorbed zigzag and armchair graphene nanoribbons

H Suman, R Srivastava, S Shrivastava… - Chemical Physics …, 2020 - Elsevier
Armchair (A) and zigzag (Z) type graphene nanoribbons (GNR) have been investigated for
its suitability to sense the toxic H 2 S gas, by using density functional theory (DFT) based ab …

Analytical approach to study sensing properties of graphene based gas sensor

A Hosseingholipourasl, S Hafizah Syed Ariffin… - Sensors, 2020 - mdpi.com
Over the past years, carbon-based materials and especially graphene, have always been
known as one of the most famous and popular materials for sensing applications. Graphene …

[HTML][HTML] Co-doped zigzag graphene nanoribbon based gas sensor for sensitive detection of H2S: DFT study

E Salih, AI Ayesh - Superlattices and Microstructures, 2021 - Elsevier
In this work, we present a highly sensitive gas sensor for the detection of poisonous
hydrogen sulfide gas (H 2 S) based on copper and zinc co-doped zigzag graphene …

Structural, electronic and magnetic properties of some adatoms adsorbed at the edges and Mg-doped SiC nanoribbons

N Taheri, M Moradi, MH Farzad - Computational Condensed Matter, 2022 - Elsevier
In this paper, we use the density functional theory to study comprehensively the structural,
electronic and magnetic properties of the B-, F-and H-terminated edges of SiC nanoribbons …

Analytical prediction of highly sensitive CNT-FET-based sensor performance for detection of gas molecules

A Hosseingholipourasl, SHS Ariffin, SSR Koloor… - IEEE …, 2020 - ieeexplore.ieee.org
In this study, a set of new analytical models to predict and investigate the impacts of gas
adsorption on the electronic band structure and electrical transport properties of the single …

Capacitive NO2 Detection Using CVD Graphene-Based Device

W Ju, S Lee - Nanomaterials, 2023 - mdpi.com
A graphene-based capacitive NO2 sensing device was developed by utilizing the quantum
capacitance effect. We have used a graphene field-effect transistor (G-FET) device whose …

Significance of Porous Graphene for Gas Sensing and Charge Storage Applications

VR Kumbhare, T Rathi, MK Majumder - IETE Journal of Research, 2024 - Taylor & Francis
In recent, the air pollution problem has become more serious issue due to pernicious effects
on human health. One of the most harmful pollutants, carbon monoxide (CO) has been …