RETRACTED ARTICLE: Ir-decorated gallium nitride nanotubes as a chemical sensor for recognition of mesalamine drug: a DFT study
D Olegovich Bokov, AT Jalil, FH Alsultany… - Molecular …, 2022 - Taylor & Francis
We, the Editor and Publisher of the journal Molecular Simulation, have retracted the
following article: Dmitry Olegovich Bokov, Abduladheem Turki Jalil, Forat H. Alsultany …
following article: Dmitry Olegovich Bokov, Abduladheem Turki Jalil, Forat H. Alsultany …
First-principles study for exploring the adsorption behavior of G-series nerve agents on graphdyine surface
Easy and effective detection of health hazards chemical warfare agents (CWA) is vital for the
good human health and safe environment. Here, we report the sensing of G type nerve …
good human health and safe environment. Here, we report the sensing of G type nerve …
Quantum capacitance engineering in boron and carbon modified monolayer phosphorene electrodes for supercapacitor application: a theoretical approach using ab …
A Tiwari, G Bansal, SJ Mukhopadhyay… - Journal of Energy …, 2023 - Elsevier
In this work, for the first time, the effects of Boron (B) and Carbon (C) substitutional doping/co-
doping on the quantum capacitance of monolayer Phosphorene (Ph) have been extensively …
doping on the quantum capacitance of monolayer Phosphorene (Ph) have been extensively …
Influence of NiO decoration on adsorption capabilities of black phosphorus monolayer toward nitrogen dioxide: periodic DFT calculations
This paper deals with the influence of NiO decoration of black phosphorene (BP) monolayer
with respect to nitrogen dioxide (NO2) capture and monitoring. The most stable configuration …
with respect to nitrogen dioxide (NO2) capture and monitoring. The most stable configuration …
[HTML][HTML] Defective phosphorene for highly efficient formaldehyde detection: Periodic density functional calculations
The exfoliation of black phosphorene has spurred a great deal of research interest in
improved sensors and electronic devices in the past few years. This article has dealt with the …
improved sensors and electronic devices in the past few years. This article has dealt with the …
Molecular adsorption of o-ethyltoluene and phenyl propane on square-octagon phosphorene nanosheet–A first-principles calculation
V Nagarajan, R Chandiramouli - Journal of Molecular Liquids, 2021 - Elsevier
We established the geometric firmness of square-octagon phosphorene nanosheet (so-P-
ns) and investigated the interaction behaviour of o-ethyltoluene (OET) and phenyl propane …
ns) and investigated the interaction behaviour of o-ethyltoluene (OET) and phenyl propane …
Novel green phosphorene as a superior gas sensor for dissolved gas analysis in oil transformers: using DFT method
Regarding recent attempts for monitoring dissolved gases in oil transformers, in this paper,
novel green phosphorene (GP), a new type of two-dimensional gas sensitive material was …
novel green phosphorene (GP), a new type of two-dimensional gas sensitive material was …
Characteristics and Performance of Layered Two-Dimensional Materials under Doping Engineering
As an effective means to change the crystal structure, regulate the physical properties and
expand the application potential of layered two-dimensional (2D) materials, doping strategy …
expand the application potential of layered two-dimensional (2D) materials, doping strategy …
Surface engineered phosphorene using boron and arsenic doping/Co-doping for Co-optimizing the adsorption stability, transduction, and recovery of CO, NO, and SO …
A Tiwari, AA Apte, SK Dyavadi, ESK Balaji… - Materials Today …, 2023 - Elsevier
In this work, for the first time, the effects of non-metallic Boron (B), Arsenic (As) substitutional
doping as well as co-doping at different lattice positions of monolayer Phosphorene (Ph) …
doping as well as co-doping at different lattice positions of monolayer Phosphorene (Ph) …
Mn-Doped black phosphorene for ultrasensitive hydrogen sulfide detection: periodic DFT calculations
M Ghadiri, M Ghashghaee… - Physical Chemistry …, 2020 - pubs.rsc.org
This paper addresses the comparative detection capabilities of pristine (BP) and Mn-doped
(MP1) black phosphorene sensors toward the noxious H2S molecule within a periodic …
(MP1) black phosphorene sensors toward the noxious H2S molecule within a periodic …