Two‐dimensional nanostructured materials for gas sensing
Two‐dimensional (2D) nanostructures are highly attractive for fabricating nanodevices due
to their high surface‐to‐volume ratio and good compatibility with device design. In recent …
to their high surface‐to‐volume ratio and good compatibility with device design. In recent …
Recent developments in 2D layered inorganic nanomaterials for sensing
Two dimensional layered inorganic nanomaterials (2D-LINs) have recently attracted huge
interest because of their unique thickness dependent physical and chemical properties and …
interest because of their unique thickness dependent physical and chemical properties and …
Ab Initio Study of the Graphyne-like γ-SiC Nanoflake for Toxic Gas-Sensing Applications
This study focuses on the geometrical, electronic, and optical properties of the γ-graphyne-
like novel γ-SiC nanoflake of the γ-silicon carbide (SiC) monolayer using density functional …
like novel γ-SiC nanoflake of the γ-silicon carbide (SiC) monolayer using density functional …
Novel microporous B6N6 covalent organic framework (COF) as an electrochemical sensor for the ultra-selective detection of nitroaniline isomers; a DFT outcome
The density functional theory (DFT) simulations are performed to study the sensitivity and
selectivity of a novel (star shape) boron nitride two-dimensional covalent organic framework …
selectivity of a novel (star shape) boron nitride two-dimensional covalent organic framework …
The Al, Ga and Sc dopants effect on the adsorption performance of B12N12 nanocluster toward pnictogen hydrides
S Larki, E Shakerzadeh, EC Anota… - Chemical Physics, 2019 - Elsevier
A systematic exploration using DFT calculations was carried out to investigate the interaction
between pnictogen hydrides (NH 3, PH 3, and AsH 3) with pristine and doped B 12 N 12 …
between pnictogen hydrides (NH 3, PH 3, and AsH 3) with pristine and doped B 12 N 12 …
Sensing Characteristics of Phosphorene Monolayers toward PH3 and AsH3 Gases upon the Introduction of Vacancy Defects
MS Mahabal, MD Deshpande, T Hussain… - The Journal of …, 2016 - ACS Publications
Motivated by the exceptional interest of researchers in two-dimensional nanostructures, the
current study deals with the structural, electronic, optical, and gas-sensing properties of …
current study deals with the structural, electronic, optical, and gas-sensing properties of …
DFT investigation of NH3, PH3, and AsH3 adsorptions on Sc-, Ti-, V-, and Cr-doped single-walled carbon nanotubes
P Buasaeng, W Rakrai, B Wanno, C Tabtimsai - Applied Surface Science, 2017 - Elsevier
The adsorption properties of ammonia (NH 3), phosphine (PH 3), and arsine (AsH 3) on
pristine and transition metal-(TM= Sc, Ti, V, and Cr) doped (5, 5) armchair single-walled …
pristine and transition metal-(TM= Sc, Ti, V, and Cr) doped (5, 5) armchair single-walled …
CO and HCHO adsorption on FeO monowire devices: a DFT study
N Kishore, K SenthilKannan, T Periyanayagi… - Applied Physics A, 2017 - Springer
FeO monowire structures were constructed and optimized using density functional theory
(DFT) to study the adsorption behavior of CO and HCHO gas phase molecules. The …
(DFT) to study the adsorption behavior of CO and HCHO gas phase molecules. The …
Gas sensors based on two-dimensional materials and its mechanisms
K Rajkumar, RTR Kumar - Fundamentals and sensing applications of 2D …, 2019 - Elsevier
Inspired by the interesting properties of two-dimensional (2D) layered graphene, much
attention has been focused on finding new 2D materials. After the advent of graphene, 2D …
attention has been focused on finding new 2D materials. After the advent of graphene, 2D …
Nucleobases-decorated boron nitride nanoribbons for electrochemical biosensing: a dispersion-corrected DFT study
Understanding the interactions between biomolecules and boron nitride nanostructures is
key for their use in nanobiotechnology and medical engineering. In this study, we …
key for their use in nanobiotechnology and medical engineering. In this study, we …