Danish Abdullah* and Dinesh C. Gupta (2024). Probing the opto-electronic, phonon spectrum, and thermoelectric properties of lead-free fluoride perovskites A2GeSnF6 (A= K, Rb, Cs) for energy harvesting devices. Scientific Reports, 14(1), 12644. (ISI-indexed Q1 Journal, Impact Factor 3.8)

El Goutni, M. E. A., Batouche, M., Ferjani, H., Seddik, T., & Abdullah, D. (2025). Advancing sustainable energy: Photocatalytic and thermoelectric properties of Cs?MBr? double perovskites (M= Re4+, W4+, Ru4+, Os4+). Inorganic Chemistry Communications, 115644. (ISI-indexed Q1 Journal, Impact Factor 5.4)

Danish Abdullah* and Dinesh C. Gupta (2023). Exploring the structural, Mechanical, electronic, optical, and thermoelectric properties of Cesium-based double perovskite Cs2GeSnX6 (X= Cl, Br, I) compounds: A DFT study. Materials Science in Semiconductor Processing, 167, 107813. (ISI-indexed Q1 Journal, Impact Factor 4.2)

D. Jha, S. Sharma, P. Nayak, S. Gautam, B. Gurunani, D. Abdullah & D. C. Gupta, (2025, January). Investigation of structural, electronic and elasto-mechanical properties of Quaternary Heusler alloy: GdTiYAl. In American Institute of Physics Conference Series (Vol. 3198, No. 1, p. 020074).

P. Nayak, B. Gurunani, S. Gautam, D. Abdullah, S. Sharma, P. Srivastava & D. C. Gupta, (2025, January). Synergistic exploration of structural, electronic, magnetic, and thermoelectric properties of BaMn4Ge12. In AIP Conference Proceedings (Vol. 3198, No. 1). AIP Publishing.

B. Gurunani, P. Nayak, D. Abdullah, S. Gautam, S. Sharma, S. Ghosh & D. C. Gupta, (2025, January). First-principle investigations of structural, electronic, and thermoelectric properties of co-based semiconductor half-Heusler alloy. In AIP Conference Proceedings (Vol. 3198, No. 1). AIP Publishing.

S. Sharma, D. Abdullah, S. Gautam, B. Gurunani, P. Nayak, S. Ghosh & D. C. Gupta, (2025, January). Exploration of magneto-electronic, structural and mechanical properties of V2MnGe Heusler alloy: A DFT insight. In AIP Conference Proceedings (Vol. 3198, No. 1). AIP Publishing.

S. Gautam, D. Abdullah, P. Nayak, B. Gurunani, S. Sharma, S. Ghosh, & D. C. Gupta, (2025, January). DFT calculations on the structural, mechanical, electro-magnetic and transport properties of half-metallic CsPuO3 alloy. In AIP Conference Proceedings (Vol. 3198, No. 1). AIP Publishing.

D. Abdullah, S. Gautam, B. Gurunani, P. Nayak, S. Sharma & D. C. Gupta, (2025, January). Probing the structural, electronic, and transport properties of Cs2NaAmCl6 through DFT simulation methods. In AIP Conference Proceedings (Vol. 3198, No. 1). AIP Publishing.

Danish Abdullah, Sakshi Gautam & D. C. Gupta (2025). DFT simulations reveal the structural, mechanical, electronic, magnetic, and transport attributes of the novel CeMO3 (M= Ag, W). Journal of Chinese chemical society (doi.org/10.1002/jccs.70118).

Mohamed El Amine El Goutni*, Mohammed Batouche, Hela Ferjani, Taieb Seddik, Danish Abdullah*. (2025). Ruthenium-Based Vacancy-Ordered Perovskites: Unlocking Solar-Driven Oxidation and Spintronic Potential. Journal of Sol-Gel Science and Technology (ISI-indexed Q2 Journal, Impact Factor 3.2)

Danish Abdullah*, Sakshi Gautam, Ab Quyoom Seh, Shabir Ahmad Mir, and Dinesh C. Gupta (2025). Assessing Half-Heusler Alloys PtNbZ (Z=Al, Ga, In) via DFT: Acceptability for Thermoelectric Applications. RSC Advances, 47036-47050 (ISI-indexed Q1 Journal, Impact Factor 4.6)

Danish Abdullah & D. C. Gupta. A DFT investigation of lead-free Rb2YCuX6 (X= Cl, Br, I) perovskites for potential applications in solar cells and thermoelectric devices. Optical and Quantum Electronics, 56(11) (2024) 1846. (ISI-indexed Q2 Journal, Impact Factor 3.3)

Danish Abdullah & D. C. Gupta. Analyzing the structural, optoelectronic, and thermoelectric properties of InGeX3 (X= Br) perovskites via DFT computations. Scientific Reports 14.1 (2024): 23575. (ISI-indexed Q1 Journal, Impact Factor 3.8)

Danish Abdullah & D. C. Gupta. DFT simulations of the elastic, optoelectronic, and thermoelectric attributes of AOsCl3 (A= K, Rb), a robust and environmentally friendly perovskites for green energy implications. Scientific Reports. 14.1 (2024): 26168. (ISI-indexed Q1 Journal, Impact Factor 3.8)

Danish Abdullah & D. C. Gupta. Investigation of Structural, Electronic, Optical, and Elastic Properties of Ru-Based Inorganic Halide Perovskites ARuBr3 (A= K, Rb, Cs) via DFT Computations. Arabian Journal for Science and Engineering. (2024): 1-11. (ISI-indexed Q1 Journal, Impact Factor 2.6)

Danish Abdullah & D. C. Gupta. Understanding the mechanical, Opto-electronic, and thermoelectric properties of lead-free Silver based perovskites Cs2YAgX6 (X= Cl, Br, I): A Computational Study. Computational Condensed Matter. (2024); 40: e00924. (ISI-indexed Q2 Journal, Impact Factor 2.6)

Danish Abdullah & D. C. Gupta. First-Principles Study on the Optoelectronic and Mechanical Properties of Lead-Free Semiconductor Silicon Perovskites ASiBr3 (A= K, Rb, Cs). ECS Journal of Solid-State Science and Technology. (2024); 13(6): 064004. (ISI-indexed Q3 Journal, Impact Factor 1.8)

Danish Abdullah* and Dinesh C. Gupta. (2023). Probing the structural, opto-electronic, mechanical, and thermoelectric properties of novel lead-free semiconductor double perovskites Rb2MgMnX6 (X= Cl, Br, I): first principle study. Journal of Materials Research, 39(2), 262-272. (ISI-indexed Q2 Journal, Impact Factor 2.7)

Danish Abdullah* and Dinesh C. Gupta (2023). Scrutinizing the structural, opto-electronic, mechanical, and thermoelectric properties of semiconductor lead-free double perovskites A2AgMoBr6 (A= K, Rb, Cs). Optical and Quantum Electronics, 55(14), 1277. (ISI-indexed Q2 Journal, Impact Factor 3.3)

Danish Abdullah* and Dinesh C. Gupta. (2023). Exploring the half-metallic ferromagnetism, dynamical and mechanical stability, optoelectronic and thermoelectric properties of K2NaMI6 (M= Mn, Co, Ni) for spintronic applications. Scientific Reports, 13(1), 12795. (ISI-indexed Q1 Journal, Impact Factor 3.8)

Danish Abdullah and Dinesh C. Gupta*. "Structural, mechanical and dynamical stabilities of K2NaMCl6 (M: Cr, Fe) halide perovskites along with electronic and thermal properties." Journal of Magnetism and Magnetic Materials 569 (2023): 170474. (ISI-indexed Q2 Journal, Impact Factor 2.5)