NH3 capture and detection by metal-decorated germanene: a DFT study

AN Sosa, JE Santana, Á Miranda, LA Pérez… - Journal of Materials …, 2022 - Springer
We report an investigation of the adsorption of ammonia (NH3) on pristine, alkali (Li, Na, K),
alkaline earth (Mg, Ca), and transition metal (Sc, Pd, and Ag) decorated germanene using a …

[HTML][HTML] A first-principle investigation of NO2 adsorption behavior on Co, Rh, and Ir-embedded graphitic carbon nitride: Looking for highly sensitive gas sensor

H Basharnavaz, A Habibi-Yangjeh, SH Kamali - Physics Letters A, 2020 - Elsevier
First-principle calculations were performed to investigate the adsorption behavior of NO 2
gas on the pristine graphitic carbon nitride (gCN) and transition metals (TM)-embedded gCN …

DFT investigation of metal-decorated silicon carbide nanosheets for the adsorption of NH3

LG Arellano, BJ Cid, JE Santana, F De Santiago… - Materials Today …, 2023 - Elsevier
The threat that ammonia (NH 3) poses in various human activity environments drives the
necessity of sensors of higher sensitivity. Two-dimensional (2D) materials have attracted …

Green fabrication of integrated Au/CuO/oyster shell nanocatalysts with oyster shells as alternative supports for CO oxidation

X Liu, J Dai, W Li, K Wang, J Huang, Q Li… - ACS sustainable …, 2019 - ACS Publications
Oyster shells (OSs) are a kind of reusable resources which are largely discarded randomly
as waste. In this study, we have employed OSs as rigid supports to fabricate integrated …

Highly sensitive amphetamine drug detection based on silicon nanowires: Theoretical investigation

JE Santana, AN Sosa, F De Santiago, Á Miranda… - Surfaces and …, 2023 - Elsevier
Amphetamine (AA) is used in some therapeutic treatments, but it is also one of the most
widely used illicit drugs. Therefore, a correct tracking of AA in various environments is crucial …

A first-principles investigation on the electronic and mechanical properties of 1T TiSe2 multilayers for energy storage

JE Antonio, JM Cervantes… - Journal of The …, 2021 - iopscience.iop.org
In this work, the electronic and mechanical properties of bulk TiSe 2 were studied, and the
effects of confinement on the compound, into mono-, bi-, and tri-layered systems, on the …

Ammonia gas sensing by silicon nanowires (SINWs)-polyaniline (PANI) heterostructure

P Nath, D Sarkar - Materials Today: Proceedings, 2023 - Elsevier
Abstract Silicon nanowires (SINWs)-polyaniline (PANI) heterostructure has been fabricated
for ammonia (NH 3) gas detection at room temperature. SINWs are prepared adopting silver …

Adsorption and solar light activity of noble metal adatoms (Au and Zn) on Fe (111) surface: a first-principles study

Q Rafiq, MT Khan, SS Hayat, S Azam… - Physical Chemistry …, 2024 - pubs.rsc.org
Noble metals such as gold (Au), zinc (Zn), and iron (Fe) are highly significant in both
fundamental and technological contexts owing to their applications in optoelectronics …

[HTML][HTML] Urea adsorption and detection using silicon nanowires doped with B, Al, C, Ge, N, and P: A DFT investigation

JE Santana, KJ García… - Physica B: Condensed …, 2024 - Elsevier
Urea can serve as a biomarker for the detection of various illnesses, including renal and
hepatic failure. Consequently, the development of novel devices and materials capable of …

Pseudo Molecular Doping and Ambipolarity Tuning in Si Junctionless Nanowire Transistors Using Gaseous Nitrogen Dioxide

V Vardhan, S Biswas, S Ghosh… - Advanced Electronic …, 2024 - Wiley Online Library
Ambipolar transistors facilitate concurrent transport of both positive (holes) and negative
(electrons) charge carriers in the semiconducting channel. Effective manipulation of …