M. Mushtaq

发表

First-principles investigations of Na2CuMCl6 (M = Bi, Sb) double perovskite semiconductors: Materials for green technology

B. Haq, S. Alomairy, Tuan V. Vu, 2022, Materials Science in Semiconductor Processing.

Understanding the Electronic Structure and Optical Properties of Vacancy-Ordered Double Perovskite A2BX6 for Optoelectronic Applications

A. Laref, Nisar Muhammad, A. Abdelbacki, 2022, Energy & Fuels.

Adsorption of NOx (x = 1, 2) Molecules on the CoFeMnSi(001) Surface: First-Principles Insights

A. Ayesh, M. Mateen, S. Abdelmohsen, 2023, ACS omega.

Adsorption, sensing, electronic and magnetic properties of phosgene (COCl2) molecule adsorbed on Nb-doped arsenene: First-principles study

N. Al-Hosiny, A. Laref, A. M. Mebed, 2022, Solid State Communications.

Adsorption of CO over the Heusler alloy CrCoIrGa(001) surface: first-principles insights

R. Neffati, M. Faizan, Sana Maqbool, 2022, RSC advances.

Effect of Si, Be, Al, N and S dual doping on arsenene: first-principles insights

R. Khenata, M. Mushtaq, Muhammad Usman Hameed, 2021, RSC advances.

An extensive study on multiple ETL and HTL layers to design and simulation of high-performance lead-free CsSnCl3-based perovskite solar cells

Md. Mer Mosharraf Hossain, Md. Ferdous Rahman, H. Bencherif, 2023, Scientific Reports.

Photovoltaic Performance Investigation of Cs3Bi2I9-Based Perovskite Solar Cells with Various Charge Transport Channels Using DFT and SCAPS-1D Frameworks

D. P. Samajdar, Md. Ferdous Rahman, Jaya Madan, 2023, Energy & Fuels.

First-principles calculations to investigate electronic, structural, optical, and thermoelectric properties of semiconducting double perovskite Ba2YBiO6

B. Haq, H. Alkhaldi, Z. Alrowaili, 2022, Micro and Nanostructures.

A theoretical investigation of the lead‐free double perovskites halides Rb2XCl6 (X = Se, Ti) for optoelectronic and thermoelectric applications

D. P. Rai, R. Ahmed, R. A. Sheikh, 2023, J. Comput. Chem..

Structure, half-metallic and magnetic properties of bulk and (001) surface of Rb2XMoO6 (X = Cr, Sc) double perovskites: a DFT + U study

N. Al-Hosiny, E. F. El-Shamy, A. M. Mebed, 2022, Physica Scripta.

Deep Insights into the Coupled Optoelectronic and Photovoltaic Analysis of Lead-Free CsSnI3 Perovskite-Based Solar Cell Using DFT Calculations and SCAPS-1D Simulations

D. P. Samajdar, Md. Ferdous Rahman, Jaya Madan, 2023, ACS omega.