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[HTML][HTML] Synergy of carbon capture, waste heat recovery and hydrogen production for industrial decarbonisation
Industry is the biggest sector of energy consumption and greenhouse gas emissions, whose
decarbonisation is essential to achieve the Sustainable Development Goals. Carbon …
decarbonisation is essential to achieve the Sustainable Development Goals. Carbon …
Adsorption studies of camphene and eucalyptol molecules on orthorhombic germanane nanosheet-a first-principles investigation
In the present work, we deployed a novel orthorhombic germanane nanosheet (ortho-GeNS)
as a sensing material to detect camphene and eucalyptol molecules, the indoor air …
as a sensing material to detect camphene and eucalyptol molecules, the indoor air …
The Olympicenyl Radical and Its Derivatives
The olympicenyl radical (OR) has long been a fascinating spin doublet hydrocarbon radical
that evoked theoretical and experimental research interests, but the chemistry of olympicenyl …
that evoked theoretical and experimental research interests, but the chemistry of olympicenyl …
Sensing ability of carbon nitride (C6N8) for the detection of carbon monoxide (CO) and carbon dioxide (CO2)
N Naseem, F Tariq, Y Malik, WA Zahid… - Sensors and Actuators A …, 2024 - Elsevier
Abstract Carbon nitride (C 6 N 8) is explored as an adsorption material for harmful industrial
gases such as carbon monoxide (CO) and carbon dioxide (CO 2). The complexation of CO …
gases such as carbon monoxide (CO) and carbon dioxide (CO 2). The complexation of CO …
Adsorption behavior and sensing properties of toxic gas molecules onto PtnBe (n= 5, 7, 10) clusters: a DFT benchmark study
The adsorption characteristics of some toxic gas molecules (CO, SO, NO, NH 3, PH 3, CH 4,
and O 3) onto Pt n Be (n= 5, 7, 10) cluster were scrutinized using density functional theory …
and O 3) onto Pt n Be (n= 5, 7, 10) cluster were scrutinized using density functional theory …
A graphene-like BeS monolayer as a promising gas sensor material with strain and electric field induced tunable response: a first-principles study
A comprehensive investigation of the gas sensing potential of BeS monolayer has been
conducted using DFT calculations. Twelve common pollutant gases: NH3, NO2, NO, CO …
conducted using DFT calculations. Twelve common pollutant gases: NH3, NO2, NO, CO …
Unveiling the unique properties of carbon nitride (C6N8) monolayer as a novel flexible sensor for hydrogen cyanide and hydrogen fluoride: a DFT study
Surge for the advancement of sensor that accurately and selectively detect toxic materials
particularly cyanides and fluorides, is expanding every day. Herein, we analyze the sensing …
particularly cyanides and fluorides, is expanding every day. Herein, we analyze the sensing …
Machine learning and DFT investigation of CO, CO 2 and CH 4 adsorption on pristine and defective two-dimensional magnesene
Adsorption study of environmentally toxic small gas molecules on two-dimensional (2D)
materials plays a significant role in analyzing the performance of sensors. In this work …
materials plays a significant role in analyzing the performance of sensors. In this work …
Robust and facile detection of formaldehyde through transition metals doped olympicene sensors: a step forward DFT investigation
Formaldehyde, a volatile organic compound (VOC) released by building and decoration
materials, has many applications in the chemical feedstock industry. Excessive release of …
materials, has many applications in the chemical feedstock industry. Excessive release of …
Sensing response of pentagonal B2C nanosheet towards VOCs: a study combining DFT and molecular dynamics simulations
The adsorbing and sensing behavior of the volatile organic compounds (VOCs), eg,
formaldehyde, acetaldehyde, acetone, methanol, ethanol, ethylene oxide, and propylene …
formaldehyde, acetaldehyde, acetone, methanol, ethanol, ethylene oxide, and propylene …