Unveiling the unique properties of carbon nitride (C6N8) monolayer as a novel flexible sensor for hydrogen cyanide and hydrogen fluoride: A DFT study

Diamond and Related Materials, Год журнала: 2024, Номер 143, С. 110930 - 110930

Опубликована: Фев. 21, 2024

Язык: Английский

---

Investigating the adsorption and sensing of H2S, SO2, NO, and NO2 on transition metal atom doped C7N3 using DFT

Computational and Theoretical Chemistry, Год журнала: 2025, Номер 1244, С. 115074 - 115074

Опубликована: Янв. 7, 2025

Язык: Английский

---

Tuning the structural and electronic properties of GaN nanosheets through metal (M) co-doping (M = Cr, Mn, Fe, Co, Ni, Cu and Zn) to enhance the adsorption and sensing of CO gas

Molecular Physics, Год журнала: 2025, Номер unknown

Опубликована: Апрель 15, 2025

Язык: Английский

---

Structures, electronic, and magnetic properties of transition metal-loaded metal–organic frameworks with different linkers

Theoretical Chemistry Accounts, Год журнала: 2025, Номер 144(3)

Опубликована: Март 1, 2025

Язык: Английский

---

A DFT study of carbon nitride (C6N8) as a sensing potential for phosgene (COCl2) and thionyl chloride (SOCl2) gases

Adsorption, Год журнала: 2025, Номер 31(3)

Опубликована: Март 1, 2025

Язык: Английский

---

Evaluating the sensitivity and selectivity of carbon nitride monolayer toward acetylene and ethylene explosive gases

Materials Chemistry and Physics, Год журнала: 2025, Номер unknown, С. 130774 - 130774

Опубликована: Март 1, 2025

Язык: Английский

---

The adsorption and sensor properties of NH3 and H2S on the C3N3 sheet by DFT and NCI analysis

Physica B Condensed Matter, Год журнала: 2025, Номер unknown, С. 417175 - 417175

Опубликована: Март 1, 2025

Язык: Английский

---

Quantum engineering the adsorption behavior and sensitivity of GaNNs toward CO gas by hetero metal CrM-GaNNSs (M= Mn, Fe, Co, Cu and Zn) co-doping: a D-PBE/DNP approach

Surface Science, Год журнала: 2025, Номер unknown, С. 122758 - 122758

Опубликована: Апрель 1, 2025

Язык: Английский

---

Structures, electronic, and magnetic properties of the transition metal-loaded 5,10,15,20-(tetra-4-aminophenyl) porphyrins

Research on Chemical Intermediates, Год журнала: 2024, Номер unknown

Опубликована: Ноя. 25, 2024

Язык: Английский

---

The Effect of Doping rGO with Nanosized MnO2 on Its Gas Sensing Properties

Chemosensors, Год журнала: 2024, Номер 12(12), С. 256 - 256

Опубликована: Дек. 6, 2024

Manganese dioxide (MnO2) has drawn attention as a sensitiser to be incorporated in graphene-based chemoresistive sensors thanks its promising properties. In this regard, rGO@MnO2 sensing material was prepared and deposited on two different substrates (silicon Kapton). The effect of the substrate nature morphology behaviour thoroughly analysed reported. These were exposed dilutions NO2 ranging from 200 ppb 1000 under dry humid conditions (25% RH 70% RH) at room temperature. Kapton showed highest response 6.6% towards 1 ppm RT. Other gases or vapours such NH3, CO, ethanol, H2 benzene also tested. FESEM, HRTEM, Raman, XRD ATR-IR used characterise sensors. experimental results that incorporation nanosized MnO2 rGO enhanced NO2. Moreover, very good responses toward NH3 both conditions, with sensor silicon showing 18.5% 50 50% Finally, synthetised layers no cross-responsiveness other toxic gases.

Язык: Английский

---