Cited by Development of Ceramic Particle-Reinforced AZ91 Composites for Enhanced X-Ray Shielding Performance

The first principles investigation of free‑lead perovskite-type hydrides CsXH3 (X = Sc, Y) for hydrogen storage application DOI

M. Kashif Masood, Wahid Ullah,

Shumaila Bibi

et al.

Computational and Theoretical Chemistry, Journal Year: 2025, Volume and Issue: unknown, P. 115144 - 115144

Published: Feb. 1, 2025

Language: Английский

Citations

First-principles study on the stability, electronic structure, and optical properties of neutral phosphorus-related point defects in 4H–SiC DOI

Lei Sun, Bin Peng, Wenxu Zhang

et al.

AIP Advances, Journal Year: 2025, Volume and Issue: 15(4)

Published: April 1, 2025

Doping-induced point defects have the capacity to alter physical performances of host semiconductors such as silicon carbide (SiC). Nevertheless, structural and functional characterization lacks comprehensiveness, which impedes determination influence from on hosts. In this study, stability, electronic structure, optical properties neutral phosphorus (P)-related in 4H–SiC were calculated by first-principles methods. The P dopant tends form substitutions rather than interstitials. Neutral interstitials prefer appear Si sublattice hexagonal coordination site, respectively. Both lead a minor reduction bandgap width. Meanwhile, introduce impurity energy levels bandgap. Based obtained total projected density states, contribute states different ways. As for properties, increase static dielectric constant redshift main peaks function absorption coefficient with diverse power. This study gives guidance experiments exploring variations dopants meet specific applications.

Language: Английский

Citations

Intrinsic and Extrinsic Thermal Conductivities of Gallium Nitride and Silicon Carbide DOI

Lǜ Yang, David G. Cahill, Qiye Zheng

et al.

The Materials Research Society series, Journal Year: 2025, Volume and Issue: unknown, P. 527 - 569

Published: Jan. 1, 2025

Language: Английский

Citations

Harnessing thermoelectric efficiency in Germanium-Based Janus monolayers: A theoretical perspective DOI

Shivani Saini, Anup Shrivastava, Sanjai Singh

et al.

Materials Today Electronics, Journal Year: 2025, Volume and Issue: 12, P. 100154 - 100154

Published: May 1, 2025

Language: Английский

Citations

Hydrostatic pressure effects on Francium-based halide perovskites FrMI3 (M = Ca, Sr): A pathway to enhanced optoelectronic performance DOI

Wasif Abu Dujana, Md. Safin Alam, Arpon Biswas

et al.

Computational and Theoretical Chemistry, Journal Year: 2024, Volume and Issue: 1238, P. 114715 - 114715

Published: June 22, 2024

Language: Английский

Citations

Pressure-Tailored Band Gap Reduction of Sr3NBr3 Compound for Optoelectronic Application: A First-Principles Investigation DOI

Nusrat Jahan Nisha,

Md Saiduzzaman,

Md. Bayjid Hossain Parosh

et al.

Results in Engineering, Journal Year: 2025, Volume and Issue: unknown, P. 105094 - 105094

Published: April 1, 2025

Language: Английский

Citations

Molecular dynamics simulations on TiO2 quantum dots modified asphalt: Impact of size and concentration of quantum dots DOI

Jianying Hu, Yuwei Li,

Xiujie Quan

et al.

Computational and Theoretical Chemistry, Journal Year: 2024, Volume and Issue: 1238, P. 114726 - 114726

Published: July 6, 2024

Language: Английский

Citations

Investigating the adaptability of CsMF3 (M = Ge, Si) perovskites under hydrostatic pressure for improved optoelectronic performance: A DFT-based computational study DOI

Md. Safin Alam, Aldina Sultana, Arpon Biswas

et al.

Next research., Journal Year: 2024, Volume and Issue: 1(2), P. 100069 - 100069

Published: Nov. 13, 2024

Language: Английский

Citations

Development of Ceramic Particle-Reinforced AZ91 Composites for Enhanced X-Ray Shielding Performance DOI

Gizem KARABACAK,

Zübeyde Özkan, Seda Gürgen Avşar

et al.

Ceramics International, Journal Year: 2024, Volume and Issue: unknown

Published: Dec. 1, 2024

Language: Английский

Citations