Titanium Carbide MXene as NH3 Sensor: Realistic First-Principles Study
This work presents a more realistic study on the potential of titanium carbide MXene (Ti3C2T
x) for gas sensing, by employing first principle calculations. The effects of different ratios of …
x) for gas sensing, by employing first principle calculations. The effects of different ratios of …
Investigation of vacancy defects and substitutional doping in AlSb monolayer with double layer honeycomb structure: a first-principles calculation
The experimental knowledge of the AlSb monolayer with double layer honeycomb structure
is largely based on the recent publication (Le Qin et al 2021 ACS Nano 15 8184), where this …
is largely based on the recent publication (Le Qin et al 2021 ACS Nano 15 8184), where this …
Synthesis of boron nitride nanosheets with N-defects for efficient tetracycline antibiotics adsorptive removal
Y Chao, J Zhang, H Li, P Wu, X Li, H Chang… - Chemical Engineering …, 2020 - Elsevier
Engineering structure defects in boron nitride for enhancing adsorption performance is
imperative for the rational design of a high-efficient adsorbent. Herein, boron nitride …
imperative for the rational design of a high-efficient adsorbent. Herein, boron nitride …
Two-dimensional ZnI2 monolayer as a photocatalyst for water splitting and improvement its electronic and optical properties by strains
We investigate the electronic and optical properties of zinc iodide (ZnI 2) under the effect of
the biaxial strains. It has been emphasized that ZnI 2 monolayer is stable based on the …
the biaxial strains. It has been emphasized that ZnI 2 monolayer is stable based on the …
Metal nitrides nanostructures: Properties, synthesis and conceptualization in analytical methods developments for chemical analysis and separation, and in energy …
The huge success of boron and carbon nitride nanostructures owing to their magnificent
characteristics has encouraged the researchers to develop metal nitride nanostructures …
characteristics has encouraged the researchers to develop metal nitride nanostructures …
Tunable optical and electronic properties of Janus monolayers Ga2SSe, Ga2STe, and Ga2SeTe as promising candidates for ultraviolet photodetectors applications
HD Bui, HR Jappor, NN Hieu - Superlattices and Microstructures, 2019 - Elsevier
Abstract Janus Ga 2 STe, Ga 2 STe, and Ga 2 SeTe monolayers have been designed
composed of GaS, GaSe, and GaTe monolayers and study their electronic and optical …
composed of GaS, GaSe, and GaTe monolayers and study their electronic and optical …
Tunable optical and electronic properties of gallium telluride monolayer for photovoltaic absorbers and ultraviolet detectors
SSA Al-Abbas, MK Muhsin, HR Jappor - Chemical Physics Letters, 2018 - Elsevier
First-principles calculations have been utilized to investigate the electronic and optical
properties of GaTe monolayer. The GaTe single-layer reveals a proper bandgap and …
properties of GaTe monolayer. The GaTe single-layer reveals a proper bandgap and …
Defect-engineered two-dimensional layered gallium sulphide molecular gas sensors with ultrahigh selectivity and sensitivity
Detecting toxic gases, especially greenhouse gases, is one of the most challenging and
complex tasks to maintain a sustainable environment. Based on first-principles theoritical …
complex tasks to maintain a sustainable environment. Based on first-principles theoritical …
Adsorption of HCN, HNC and CH3CN toxic gases on the M-doped (M= Cr, Fe, Ni and Zn) GaNNS: A DFT-D study
M Yekta, MA Zanjanchi, H Roohi - Colloids and Surfaces A …, 2024 - Elsevier
In this work, the performance of transition metal-doped gallium nitride nanosheets (M-
GaNNS s, M= Cr, Fe, Ni and Zn) for adsorption and sensing of HCN, HNC and CH 3 CN …
GaNNS s, M= Cr, Fe, Ni and Zn) for adsorption and sensing of HCN, HNC and CH 3 CN …
A potentially efficient ORR catalyst: Transition metal-doped 2D Haeckelite MoS2
YJ Sun, CC Ding, W Jin, T Liu, JS Hu - Materials Today Communications, 2023 - Elsevier
Enhancing the efficiency of the proton exchange membrane fuel cell (PEMFC) relies
significantly on the development of low-cost but highly efficient catalysts for oxygen …
significantly on the development of low-cost but highly efficient catalysts for oxygen …