Polypyrrole-based sensors for volatile organic compounds (VOCs) sensing and capturing: A comprehensive review
MR Miah, M Yang, S Khandaker, MM Bashar… - Sensors and Actuators A …, 2022 - Elsevier
Smart and precise sensing is very important for the protection of both environment and
personal security in modern civilized society. There are numerous sensing devices for …
personal security in modern civilized society. There are numerous sensing devices for …
High sensitivity of graphdiyne nanoflake toward detection of phosgene, thiophosgene and phosogenoxime; a first-principles study
The sensing properties of 2D carbon materials are well explored for various gaseous
analytes, however, the detection of toxic chemicals eg, phosgene (Ph), thiophosgene (ThP) …
analytes, however, the detection of toxic chemicals eg, phosgene (Ph), thiophosgene (ThP) …
First row transition metal doped B12P12 and Al12P12 nanocages as excellent single atom catalysts for the hydrogen evolution reaction
The hydrogen evolution reaction (HER) is a promising process to produce high purity
hydrogen gas. However, the overpotential of this reaction hinders its practical applications …
hydrogen gas. However, the overpotential of this reaction hinders its practical applications …
Adsorption behaviour of chronic blistering agents on graphdiyne; excellent correlation among SAPT, reduced density gradient (RDG) and QTAIM analyses
The chemical warfare agents (CWAs) are highly toxic for living systems and environment.
These diverse effects of CWAs, especially blistering agents, need the development of highly …
These diverse effects of CWAs, especially blistering agents, need the development of highly …
Interaction of imidazolium based ionic liquid electrolytes with carbon nitride electrodes in supercapacitors; a step forward for understanding electrode–electrolyte …
Ionic liquids (ILs) are considered as an emerging class of electrolytes finding their
applications in energy storage devices due to wide electrochemical windows …
applications in energy storage devices due to wide electrochemical windows …
DFT investigation of adsorption of nitro-explosives over C2N surface: Highly selective towards trinitro benzene
S Sarfaraz, M Yar, AA Khan, R Ahmad… - Journal of Molecular …, 2022 - Elsevier
Sensitive and rapid detection of nitro-explosives is vital to ensure military and homeland
security. Therefore, we have carried out DFT calculations to explore the selectivity and …
security. Therefore, we have carried out DFT calculations to explore the selectivity and …
Decorating Mg12O12 Nanocage with Late First-Row Transition Metals To Act as Single-Atom Catalysts for the Hydrogen Evolution Reaction
In the pursuit of sustainable clean energy sources, the hydrogen evolution reaction (HER)
has attained significant interest from the scientific community. Single-atom catalysts (SACs) …
has attained significant interest from the scientific community. Single-atom catalysts (SACs) …
Evaluation of electrochemical quartz crystal microbalance based sensor modified by uric acid-imprinted polypyrrole
D Plausinaitis, L Sinkevicius, U Samukaite-Bubniene… - Talanta, 2020 - Elsevier
Uric acid-imprinted polypyrrole-based (MIP (UA)-Ppy) electrochemical quartz crystal
microbalance sensor (EQCM) was developed. Experiments and theoretical calculations …
microbalance sensor (EQCM) was developed. Experiments and theoretical calculations …
Adsorption mechanism of p-aminophenol over silver-graphene composite: A first principles study
Herein, we report the theoretical insight into the adsorption mechanism of p-Aminophenol on
graphene, silver cluster and silver graphene composites. DFT calculations are performed at …
graphene, silver cluster and silver graphene composites. DFT calculations are performed at …
Therapeutic potential of oxo-triarylmethyl (oxTAM) as a targeted drug delivery system for nitrosourea and fluorouracil anticancer drugs; A first principles insight
In this study, oxygenated triarylmethyl (oxTAM) is investigated by DFT calculations as a drug
carrier framework for Nitrosourea (NU) and Fluorouracil (FU) drugs. Based on the adsorption …
carrier framework for Nitrosourea (NU) and Fluorouracil (FU) drugs. Based on the adsorption …