Trichloroethylene and tetrachloroethylene adsorption studies on α-antimony phosphorous nanosheets–A first-principles study
V Nagarajan, R Bhuvaneswari… - … and Theoretical Chemistry, 2024 - Elsevier
In recent days, monolayer materials have been pioneering research to detect different kinds
of toxic pollutants in the air atmosphere. In this work, we utilised alpha-phase antimony …
of toxic pollutants in the air atmosphere. In this work, we utilised alpha-phase antimony …
Mitigation of indoor pollutants using 2D materials for enrichment of indoor environmental quality and human health: a review
M Subramani, A Muralidharan, D Arumugam… - Current Opinion in …, 2023 - Elsevier
Indoor pollution includes particulate matter (PM), volatile organic compounds (VOCs),
volatile inorganic compounds (VICs), and pathogens that pose a potential risk to human …
volatile inorganic compounds (VICs), and pathogens that pose a potential risk to human …
Carbon and boron nitride quantum dots as optical sensor probes for selective detection of toxic metals in drinking water: a quantum chemical prediction through …
Toxic metals present in drinking water pose a serious threat to the environment and human
beings when present in abundance. In this work, we investigated the sensing ability of …
beings when present in abundance. In this work, we investigated the sensing ability of …
[HTML][HTML] A novel synthesis route with large-scale sublattice asymmetry in boron doped graphene on Ni (111)
One of the promising ways to functionalize graphene is incorporation of heteroatoms in
carbon sp2 lattice, as it is proven to be an efficient and versatile method for controllably …
carbon sp2 lattice, as it is proven to be an efficient and versatile method for controllably …
Adsorption properties of glycol ethers on cubic germanane nanosheets: A first-principles study
The current study highlights the ability of cubic germanane nanosheets to adsorb the glycol
ethers, namely 2-methoxyethanol and 2-ethoxyethanol, which are used as major solvents in …
ethers, namely 2-methoxyethanol and 2-ethoxyethanol, which are used as major solvents in …
Carcinogenic heavy metals detection based on ZnO nanoribbons
The theoretical investigation of zigzag ZnONRs for the detection of carcinogenic heavy metal
atoms is reported in the current manuscript. The sensing characteristics of the ZnONRs …
atoms is reported in the current manuscript. The sensing characteristics of the ZnONRs …
Optimizing Graphene Dopants for Direct Electrocatalytic Quantification of Small Molecules and Ions
Q Zhou, M Shi, M Wu, N Zhao, P Shi, Y Zhu, A Wang… - Catalysts, 2023 - mdpi.com
This review critically evaluates the recent advancements in graphene dopants for
electrocatalytic quantification of small molecules and ions. Emphasizing the enhanced …
electrocatalytic quantification of small molecules and ions. Emphasizing the enhanced …
Theoretical insight of hydrochlorothiazide and aspirin adsorption on potassium and phosphorus doped carbon nanostructure as polypill prototype
G Dodero, G Román, EN Grau, AD Compañy… - Diamond and Related …, 2023 - Elsevier
Simultaneous adsorption of drugs on a novel carrier is a challenge for cardiovascular
polypill design. The Density Functional Theory (DFT) calculations have been carried out to …
polypill design. The Density Functional Theory (DFT) calculations have been carried out to …
Detection of carcinogenic heavy metals using ZnO nanoribbons (ZnONRs): Ab-initio analysis
MS Krishna, S Singh - Physica E: Low-dimensional Systems and …, 2022 - Elsevier
The present work investigates the behaviour of ZnO nanoribbons (ZnONRs) for the detection
of carcinogenic heavy metals. Density functional theory along with non-equilibrium Green's …
of carcinogenic heavy metals. Density functional theory along with non-equilibrium Green's …
Planar Quasi-1-D Toxic Heavy Metal Nanosensor Based on Zigzag Gallium Nitride Nanoribbon
The potential of gallium nitride nanoribbon (GaNNR) as next-generation sensors for real-
time detection of toxic heavy metals (HMs) necessitates a deep understanding of their …
time detection of toxic heavy metals (HMs) necessitates a deep understanding of their …