A. M. Nura

Density Functional Theory Study of the Effect of Mono-Halogen Substitution on Electronic and Non-Linear Optical Properties of Porphyrin

Zahrau Hamisu Bashir, A. M. Nura, A. S. Gidado, M. A. Shariff & Rabiu Nuhu Muhammad · Journal of Energy Research and Reviews · 2023

Porphyrin is an organic macrocycle compound, with a chemical formular (C20H14N4) it act as important components in various technological application like solar cell, due to their flexibility and low production cost. In this work, DFT and TD-DFT were used to investigate the molecu...

Open access Research Article 10.9734/jenrr/2023/v14i2282

Charge Transport Enhancement in Anthracene Molecular Junction: Density Functional Theory Studies

Kassim L. Ibrahim, G. Babaji & A. M. Nura · Journal of Materials Science Research and Reviews · 2022

Device miniaturization and a desire to add some functionality for the next-generation electronic circuits have prompted the research community into a single molecule electronics. Here, we analyzed anthracene molecules coupled to Au electrodes through anchor groups. By using densi...

Open access Research Article