Hydrogen Dissociation Reaction on First-Row Transition Metal Doped Nanobelts DOI Open Access
Imene Bayach, Sehrish Sarfaraz, Nadeem S. Sheikh

et al.

Materials, Journal Year: 2023, Volume and Issue: 16(7), P. 2792 - 2792

Published: March 31, 2023

Zigzag molecular nanobelts have recently captured the interest of scientists because their appealing aesthetic structures, intriguing chemical reactivities, and tantalizing features. In current study, first-row transition metals supported on an H

Language: Английский

The first row transition metal-corrole complexes as a single atom catalyst for electrochemical hydrogen evolution reaction: A DFT insight DOI

Fatima Yaseen,

Muhammad Alı Hashmı,

Qurat ul Ain

et al.

International Journal of Hydrogen Energy, Journal Year: 2024, Volume and Issue: 57, P. 1389 - 1397

Published: Jan. 18, 2024

Language: Английский

Citations

13
Highly active late second-row transition metals loaded B12P12 nanocages as bifunctional single atom catalysts toward hydrogen and oxygen evolution reactions DOI
Abdulrahman Allangawi, Khurshid Ayub, Mazhar Amjad Gilani

et al.

International Journal of Hydrogen Energy, Journal Year: 2024, Volume and Issue: 61, P. 47 - 56

Published: Feb. 28, 2024

Language: Английский

Citations

11
DFT perspective of gas sensing properties of metal oxide nanocages toward trimethylamine: Effects of humidity, temperature and electric field DOI
Yuanchao Li,

Jing Sun,

Cuijuan Jiang

et al.

Materials Today Sustainability, Journal Year: 2024, Volume and Issue: 25, P. 100668 - 100668

Published: Jan. 18, 2024

Language: Английский

Citations

10
Investigation of the cyclo[12]carbon nanoring and respective analogues (Al6N6 and B6N6) as support for the single atom catalysis of the hydrogen evolution reaction DOI
Abdulrahman Allangawi, Haneen H. Shanaah, Tariq Mahmood

et al.

Materials Science in Semiconductor Processing, Journal Year: 2023, Volume and Issue: 162, P. 107544 - 107544

Published: April 22, 2023

Language: Английский

Citations

19
Activating and optimizing the In-Plane interface of 1 T/2H MoS2 for efficient hydrogen evolution reaction DOI
Yingde Wang,

Yan Jing,

Shuang Gao

et al.

Journal of Colloid and Interface Science, Journal Year: 2023, Volume and Issue: 648, P. 709 - 718

Published: June 10, 2023

Language: Английский

Citations

18
Elucidating the hydrogen adsorption mechanism in bare and TMs (Ni, Pd and Cd) decorated Al12P12, B12P12 and C24 nanocages for hydrogen storage via DFT study DOI

Divyakaaviri Subramani,

Deepak Arumugam,

Akilesh Muralidharan

et al.

International Journal of Hydrogen Energy, Journal Year: 2024, Volume and Issue: 82, P. 1351 - 1371

Published: Aug. 8, 2024

Language: Английский

Citations

6
Transition metal loaded carbon penta-belt SACs for hydrogen and oxygen evolution reactions and identification of systematic DFT method to characterize the main interacting orbital for non-periodic system DOI
Abdulrahman Allangawi, Khurshid Ayub, Mazhar Amjad Gilani

et al.

International Journal of Hydrogen Energy, Journal Year: 2023, Volume and Issue: 53, P. 989 - 998

Published: Dec. 3, 2023

Language: Английский

Citations

15
Assessment of the nanodelivery capacity of antineoplastic jacaranone by B12N12 nanocages: A DFT study DOI

Vinicius Souza Macedo,

Thiago Soares Silva, Thaynara Guimarães Miranda

et al.

Computational and Theoretical Chemistry, Journal Year: 2024, Volume and Issue: 1232, P. 114461 - 114461

Published: Jan. 6, 2024

Language: Английский

Citations

5
Second-row transition metals decorated cyclo[18]carbon: Single-atom catalysts for excellent hydrogen evolution reaction DOI

Zarna D. Ponkiya,

Darshil Chodvadiya, Prafulla K. Jha

et al.

Materials Science in Semiconductor Processing, Journal Year: 2024, Volume and Issue: 176, P. 108351 - 108351

Published: March 23, 2024

Language: Английский

Citations

5
Transition metal-modified 1-Azahomocubane dimers: Designed catalysts for enhanced hydrogen and oxygen evolution reactions via first-principles calculations DOI

Shimna Biju,

Abdulrahman Allangawi,

Remabai Balachandran

et al.

International Journal of Hydrogen Energy, Journal Year: 2024, Volume and Issue: 77, P. 906 - 914

Published: June 21, 2024

Language: Английский

Citations

5