Aun nanocluster decorated arsenene heterostructures as effective sensing platform for caffeine and nicotine molecules detection: a DFT study DOI
Farag M. A. Altalbawy,

Ahmed Abd Al-Sattar Dawood,

Subhash Chandra

et al.

Structural Chemistry, Journal Year: 2024, Volume and Issue: unknown

Published: Nov. 20, 2024

Language: Английский

Evaluation of Sb/Bi heterostrcuturestructure as anode material for Li/Na/K-ion intercalation batteries: A DFT study DOI
Maida Anwar,

M A Q Jehangir Durrani,

Saeed Ahmad Buzdar

et al.

Computational and Theoretical Chemistry, Journal Year: 2025, Volume and Issue: unknown, P. 115088 - 115088

Published: Jan. 1, 2025

Language: Английский

Citations

0
Aldehyde adsorption studies on α‑arsenic phosphorus monolayer – A first-principles investigation DOI

M. Vijay Balaji,

V. Nagarajan,

R. Chandiramouli

et al.

Computational and Theoretical Chemistry, Journal Year: 2025, Volume and Issue: unknown, P. 115162 - 115162

Published: March 1, 2025

Language: Английский

Citations

0
Enhanced sensitivity in bromochlorodifluoromethane detection: a comparative study of B12N12 and B12P12 nanocages DOI

Ayesha Abrar,

Qazi Muhammad Ahmed,

Farrah Arshad

et al.

Adsorption, Journal Year: 2025, Volume and Issue: 31(4)

Published: March 27, 2025

Language: Английский

Citations

0
Adsorption attributes of β-phosphoborophane nanosheets towards some vapors emitted from cosmetics—a first-principles study DOI
V. Nagarajan,

B Lakshitaa,

R. Chandiramouli

et al.

Journal of Molecular Modeling, Journal Year: 2025, Volume and Issue: 31(5)

Published: April 3, 2025

Language: Английский

Citations

0
Phosphoborane nanotube as a sensing material towards benzaldehyde and benzoic acid – a DFT study DOI

Rajamahanthi Tejaswini,

V. Nagarajan,

R. Chandiramouli

et al.

Structural Chemistry, Journal Year: 2025, Volume and Issue: unknown

Published: April 8, 2025

Language: Английский

Citations

0
Unveiling of Bio-Inspired Synthesis, Characterization, DFT calculations, Molecular Modeling of Silver (Ag/Ag2O) Nanocomposite: A Promising Sustainable Material against Human breast Cancer DOI Creative Commons

R. Kavitha,

M. Srinivas,

Prashantha Karunakar

et al.

Tetrahedron Green Chem, Journal Year: 2025, Volume and Issue: unknown, P. 100078 - 100078

Published: April 1, 2025

Language: Английский

Citations

0
Enhanced VOCs adsorption on Group VIII transition metal-doped MoS2: A DFT study DOI
Chang Shen, Yiqing Chen, Weina Zhao

et al.

Chemical Physics, Journal Year: 2024, Volume and Issue: unknown, P. 112497 - 112497

Published: Oct. 1, 2024

Language: Английский

Citations

3
−DFT study of the adsorption of temozolamide anticancer drugs on the TM-adsorbed WSe2 nanocarriers: Applications to drug delivery systems DOI
Farag M. A. Altalbawy,

Uday Abdul‐Reda Hussein,

Shelesh krishna saraswat

et al.

Computational and Theoretical Chemistry, Journal Year: 2024, Volume and Issue: 1243, P. 114974 - 114974

Published: Nov. 9, 2024

Language: Английский

Citations

2
Aun nanocluster decorated arsenene heterostructures as effective sensing platform for caffeine and nicotine molecules detection: a DFT study DOI
Farag M. A. Altalbawy,

Ahmed Abd Al-Sattar Dawood,

Subhash Chandra

et al.

Structural Chemistry, Journal Year: 2024, Volume and Issue: unknown

Published: Nov. 20, 2024

Language: Английский

Citations

0