[HTML][HTML] CxNy-based materials as gas sensors: Structure, performance, mechanism and perspective
Carbon nitride (C x N y) materials, characterized by an ordered two-dimensional without
metal ions structure high N: C ratio, phase transition transformation, predispose them for …
metal ions structure high N: C ratio, phase transition transformation, predispose them for …
Vacancy defect in boron nitride nanotube improves CO2 uptake from the gaseous mixture
Abstract Boron Nitride Nanotubes (BNNTs), 1-D nanomaterials, having extraordinary
mechanical properties, are similar to carbon nanotubes. The structure of BNNT consists of …
mechanical properties, are similar to carbon nanotubes. The structure of BNNT consists of …
Computational analysis of C9N4 monolayer as a novel adsorbent for toxic gases
Abstract A novel C 9 N 4 nanosheet has been investigated for its potential use as an
electrochemical sensor for gaseous pollutants including CO, NO, CO 2, HF, and COCl 2. The …
electrochemical sensor for gaseous pollutants including CO, NO, CO 2, HF, and COCl 2. The …
Adsorption and electrochemical sensing potential of C3N monolayer for hydrogen containing toxic pollutants
Searching for suitable surfaces for the sensing of toxic pollutants is an area of continuous
interest. In this regard, nitrogen containing surfaces are potential candidates for the …
interest. In this regard, nitrogen containing surfaces are potential candidates for the …
Electrochemical sensing potential of novel C2N2 bilayer surface for the detection of toxic analytes
A novel 2D carbon nitride (C 2 N 2) bilayer surface owing two atomic layers in a unit cell with
semiconducting nature is a new attraction in the adsorption of toxic pollutants and …
semiconducting nature is a new attraction in the adsorption of toxic pollutants and …
Chiral Discrimination of Amino Acids by Using a Twisted Carbon Nanobelt: A DFT Study
Beyond the confines of chemistry, molecular chirality and related ideas like symmetry,
asymmetry, handedness, symmetry breaking, and chiral recognition have a growing …
asymmetry, handedness, symmetry breaking, and chiral recognition have a growing …
Enhanced anodic performance of CTF0 monolayer for Li-ion batteries through F and Si co-do**: A DFT insight
Covalent triazine frameworks (CTFs) have been identified as promising electrode materials
for Li-ion batteries (LIBs) because of their high surface area, adjustable conjugated …
for Li-ion batteries (LIBs) because of their high surface area, adjustable conjugated …
A DFT modeling of 4-cyclohexene-1, 3-dione embedded in covalent triazine framework as a stable anode material for Li-ion batteries
Develo** porous organic anode materials with outstanding electrical conductivity and
high capacity is crucial to enhancing the performance of Li-ion batteries (LIBs). Herein, 4 …
high capacity is crucial to enhancing the performance of Li-ion batteries (LIBs). Herein, 4 …
Unveiling potential of thiophene-functionalized C3N3 nanosheet as an anode for Li-ion batteries: A DFT-D3 study
Covalent triazine frameworks (CTFs) are a fascinating type of porous organic materials that
exhibit numerous distinct features, such as significant specific surface area, outstanding …
exhibit numerous distinct features, such as significant specific surface area, outstanding …
DFT investigation of M2F superalkali doped dodecafluorophenylene (C13H10F12) derivatives with remarkable static and dynamic NLO response
Herein, based on density functional theory (DFT) simulations, the static and dynamic
hyperpolarizabilities of the superalkalides based on Janus molecules have been explored …
hyperpolarizabilities of the superalkalides based on Janus molecules have been explored …