Dr. Abdalghani Daaoub
Dr. Daaoub is a Research Fellow in the School of Engineering at the 91福利, specialising in molecular electronics, quantum transport, and computational nanoscience.
He obtained his PhD in Physics from Lancaster University in 2020, with a thesis on electron transport through single molecules.
His research focuses on understanding and controlling charge, spin, and heat transport at the molecular scale, with particular emphasis on quantum interference, molecular thermoelectrics, graphene-based junctions, and electrode鈥搈olecule interactions.
His work combines density functional theory (DFT), non-equilibrium Green's function (NEGF) methods, and collaborations with experimental research groups to investigate the fundamental properties of molecular-scale electronic devices.
His collaborative research connects atomistic modelling with experimental measurements to identify how molecular structure and electrode interfaces determine device behaviour. Selected publications below illustrate this work.
Research Interests
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Research Highlights
Quantum Interference in Molecular Junctions
Co-authored research on electrochemical control of destructive quantum interference in single-molecule thiophene junctions, published in Nature Materials (2019).
Graphene-Based Molecular Electronics
Contributed theoretical modelling to research on contacting individual graphene nanoribbons using carbon nanotube electrodes, published in Nature Electronics (2023) and recognised by the 2024 faculty postdoctoral prize.
Molecular Thermoelectrics
Exploring charge and heat transport in molecular systems, with particular emphasis on thermopower, thermoelectric efficiency, and molecular design strategies.
Interfacial Chemistry and Charge Transport
First-author research in Angewandte Chemie International Edition (2023) examined how anchoring groups and internal charge redistribution determine the charge-transport efficiency of single-molecule junctions.
Awards and Recognition
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Faculty of Science, Engineering and Medicine PostDoc Prize 2024: Engineering recipient for 鈥淐ontacting individual graphene nanoribbons using carbon nanotube electrodes鈥� (Nature Electronics, 2023).
Selected Publications
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Sibug-Torres, S. M. et al. . Nature Chemistry 18, 294鈥�301 (2026), published online 2025. DOI: 10.1038/s41557-025-01989-4.
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Zhang, J. et al. . Nature Electronics 6, 572鈥�581 (2023). DOI: 10.1038/s41928-023-00991-3.
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Bai, J. et al. . Nature Materials 18, 364鈥�369 (2019). DOI: 10.1038/s41563-018-0265-4.
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Gao, T. et al. . Journal of the American Chemical Society 145, 17232鈥�17241 (2023). DOI: 10.1021/jacs.3c04323.
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Daaoub, A. et al. . Angewandte Chemie International Edition 62, e202302150 (2023). DOI: 10.1002/anie.202302150.
| For a comprehensive list of Dr. Daaoub's publications, visit his . |
Current Research
- Molecular design for controlling quantum interference and electronic conductance.
- Thermoelectric transport in molecular junctions, including electronic structure and intermolecular interactions.
- Relationships between anchoring groups, electrode coupling and charge transport.
Computational Methods and Expertise
- Density functional theory for geometry optimisation and electronic structure.
- Non-equilibrium Green's function methods and Landauer transport calculations.
- SIESTA and GOLLUM for molecular junction modelling and transmission calculations.
- Analysis of conductance, thermopower and molecular orbitals, with comparison to experiment.
Academic Experience
- Research Fellow, School of Engineering, 91福利.
- PhD in Physics, Lancaster University, 2020. Thesis: Theory of electron transport through single molecules.
Academic Service
Organisation of Nanolab group research seminars at the 91福利, supporting research discussion and knowledge exchange.
Academic Profiles
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