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Professor Hatef Sadeghi

Hatef Sadeghi

Professor Hatef Sadeghi

Chair of Computational Quantum Engineering

Quantum Device Modelling Group

Hatef dot Sadeghi at warwick dot ac dot uk
+44 (0) 24 7657 4565

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Prof. Sadeghi is Professor of Computational Quantum EngineeringLink opens in a new window and UKRI Future Leaders FellowLink opens in a new window within the School of Engineering.

His main research area is the theory of nanoelectronics and computational material discovery. He collaborates at the interface between physics, chemistry and electronic engineering. He has developed new concepts and methodologies in the theory of nanoscale electronics including innovative strategies for demonstrating, controlling and exploiting quantum and phonon interference for applications in thermoelectricity, switching, sensing and optoelectronics. He is a recipient of several prestigious fellowships including Leverhulme Trust Early Career FellowshipLink opens in a new window in June 2017, £1M UKRI Future Leaders FellowshipLink opens in a new window in Feb 2019 and £1M UKRI FLF Renewal in 2023.

He has published more than 160 peer-reviewed papers in high ranked journals such as Nature, Nature Materials, Nature Nanotechnology, Nature Electronics, Nature Communications, Nano Letters, ACSNano, JACS, Advance Functional Materials, Angewadte, Nanoscale. He co-created the next generation quantum transport code "GOLLUM".

Research Interests

Quantum Engineering of Advanced Materials and Devices
  • Nanoscale material modelling and discovery i.e. Electronic, vibrational and magnetic structures; Quantum, phonon and spin transport; Environmental effects on transport e.g. biological interaction, chemical stimulus, electrochemical gating, photo effect, temperature gradient, electric and magnetic field effect
  • Molecular electronics i.e. Quantum and phonon interference; Energy harvesting e.g. Thermoelectricity and Piezoelectricity; Biological sensing; Spintronic; Optoelectronics; Molecular electronic building blocks
  • One and two dimensional materials i.e. Single molecules and clusters; Self assembled monolayers; Van-der Waals heterostructures; 2D materials; Graphene nanojunctions; Carbon nanotubes; Molecular graphene nanoribbons
  • Multiscale modelling i.e. Density functional theory; Tight-binding modelling; Molecular dynamics; Quantum transport
  • GOLLUMLink opens in a new window: We co-develop the next generation quantum transport simulation tool: GOLLUM

Teaching Interests

Selected Publications

For full list of publication, visit: opens in a new window
  • Nuclear Magnetic Resonance Chemical Shift as a Probe for Single-Molecule Charge Transport, AX Qiao, A Sil, S Sangtarash, S Smith, C Wu, CM Robertson, RJ Nichols, SJ Higgins, Hatef Sadeghi and A Vezzoli, Angewandte Chemie International Edition, Vol. , no. , pp. , 2024. DOI: 10.1002/anie.202402413
  • Thermopower in Underpotential Deposition Based Molecular Junctions, P He, A Daaoub, S Sangtarash, Hatef Sadeghi, and HJ Yoon, Nano Letters, Vol. , no. , pp. , 2024. DOI: 10.1021/acs.nanolett.3c04438
  • Mechanical Manipulation of Quantum Interference in Single‐Molecule Junctions, A Sil, M Alsaqer, C E Spano, A Larbi, SJ Higgins, CM Robertson, M Graziano, S Sangtarash, RJ Nichols, Hatef Sadeghi, and A Vezzoli, Small, Vol. , no. , pp. 2308865, 2024. DOI: 10.1002/smll.202308865

  • Large Mechanosensitive Thermoelectric Enhancement in Metallo-Organic Magnetic Molecules, M Alsaqer, AHS Daaoub, S Sangtarash, and Hatef Sadeghi, Nano Letters, Vol. , no. , pp. , 2023. DOI: 10.1021/acs.nanolett.3c02569Link opens in a new window

  • Contacting individual graphene nanoribbons using carbon nanotube electrodes, J Zhang, L Qian, GB Barin, A Daaoub, P Chen, K Müllen, S Sangtarash, P Ruffieux, R Fasel, Hatef Sadeghi, J Zhang, M Calame, and ML Perrin, Nature Electronincs, Vol. , no., pp. , 2023. DOI: 10.1038/s41928-023-00991-3

  • Controlling Spin Interference in Single Radical Molecules, Y Chelli, S Sandhu, AHS Daaoub, S Sangtarash, and Hatef Sadeghi, Nano Letters, Vol. 23, no. 9, pp. 3748–3753, 2023. DOI: 10.1021/acs.nanolett.2c05068
  • Supramolecular Radical Electronics, T Gao, A Daaoub, Z Pan, Y Hu, S Yuan, Y Li, G Dong, R Huang, J Liu, S Sangtarash, J Shi, Y Yang, Hatef Sadeghi, and W Hong, Journal of the American Chemical Society (JACS), Vol. 145, no. 31, pp. 17232–17241, 2023. DOI: 10.1021/jacs.3c04323

  • Not So Innocent After All: Interfacial Chemistry Determines Charge-Transport Efficiency in Single-Molecule Junctions, A Daaoub, JMF Morris, VA Béland, P Demay-Drouhard, A Hussein, SJ Higgins, Hatef Sadeghi, RJ Nichols, A Vezzoli, T Baumgartner, S Sangtarash, Angewandte Chemie International Edition, Vol. , no. , pp. e202302150, 2023. DOI: 10.1002/anie.202302150
  • Engineering heat transport across epitaxial lattice-mismatched van der Waals heterointerfaces, E Chavez-Angel, P Tsipas, P Xiao, M Ahmadi, A Daaoub, Hatef Sadeghi, C Sotomayor Torres, A Dimoulas, A El Sachat, Nano Letters, Vol. 23, no. 15, pp. 6883–6891, 2023. DOI: 10.1021/acs.nanolett.3c01280ink opens in a new window

    151. An Orthogonal Conductance Pathway in Spiropyrans forWell-Defined Electrosteric Switching Single-MoleculeJunctions, D Jago, C Liu, AHS Daaoub, E Gaschk, MC Walkey,T Pulbrook, X Qiao, AN Sobolev, SA Moggach, D Costa-Milan, SJ Higgins, MJ Piggott, Hatef Sadeghi, RJ Nichols, S Sangtarash, A Vezzoli, and AA Koutsantonis, Small, Vol. , no. , pp. 2306334, 2023. DOI: 10.1002/smll.202306334

  • Atomically Well-defined Nitrogen Doping in the Cross-plane Transport through Graphene Heterojunctions, H Zhang, P Zhou, A Daaoub, S Sangtarash, S Zhao, Z Yang, Y Zhou, Y Zou, S Decurtins, R Häner, Y Yang, Hatef Sadeghi and S Liu, and W Hong, Chemical Science, Vol. , no. , pp. , 2023. DOI: 10.1039/D3SC00075C
  • Tunable Quantum Dots from Atomically Precise Graphene Nanoribbons Using a Multi-Gate Architecture, J Zhang, O Braun, GB Barin, S Sangtarash, J Overbeck, R Darawish, M Stiefel, R Furrer, A Olziersky, K Müllen, I Shorubalko, AHS Daaoub, P Ruffieux, R Fasel, Hatef Sadeghi, ML Perrin, M Calame, Advanced Electronic Materials, Vol. 9, no. 4, pp. 2201204, 2023. DOI: 10.1002/aelm.202201204
  • Scaling of Quantum Interference from Single Molecules to Molecular Cages and their Monolayers, X Xua, J Wanga, N Blankevoortb, A Daaoub, S Sangtarash, J Shi, C Fang, S Yuan, L Chen, J Liu, Y Yang, Hatef Sadeghi, and W Hong, Proceedings of the National Academy of Sciences (PNAS), Vol. 119, no. 46, pp. e2211786119, 2022. DOI: 10.1073/pnas.2211786119Link opens in a new window

  • Thermoelectric Enhancement in Single Organic Radical Molecules, J Hurtado-Gallego, S Sangtarash, R Davidson, L Rincón-García, A Daaoub, G Rubio-Bollinger, CJ Lambert, VS Oganesyan, MR Bryce, N Agraït, and Hatef Sadeghi, Nano Letters, Vol. 22, No. 3, pp. 948–953, 2022. DOI: 10.1021/acs.nanolett.1c03698Link opens in a new window
  • Redox-addressable single-molecule junctions incorporating a persistent organic radical, S Naghibi, S Sangtarash, VJ Kumar, JZ Wu, MM Judd, X Qiao, E Gorenskai, SJ Higgins, N Cox, RJ Nichols, Hatef Sadeghi, PJ Low and A Vezzolia, Angewandte, Vol. , no. , pp. , 2022. DOI: 10.1002/anie.202116985

  • Engineering Transport Orbitals in Single-Molecule Junctions, A Daaoub, L Ornago, D Vogel, P Bastante, S Sangtarash, M Parmeggiani, J Kamer, N Agraït, M Mayor, H van der Zant, and Hatef Sadeghi, Journal of Physical Chemistry Letters, Vol. 13, no. , pp. 9156–9164, 2022. DOI: 10.1021/acs.jpclett.2c01851Link opens in a new window

  • Reversible Switching between Destructive and Constructive Quantum Interference Using Atomically Precise Chemical Gating of Single-Molecule Junctions, C Tang, L Huang, S Sangtarash, M Noori, Hatef Sadeghi, H Xia, W Hong, Journal of the American Chemical Society (JACS), Vol. 143, No. 25 , pp. 9385–9392, 2021. DOI: 10.1021/jacs.1c00928Link opens in a new window
  • Genomics of Carbon Atomic Chains, A Daaoub, C Lambert and Hatef Sadeghi, Carbon, Vol. 183, pp. 977-983, 2021. DOI: 10.1016/j.carbon.2021.07.079Link opens in a new window
  • Optical probes of molecules as nano-mechanical switches, D Kos, GD Martino, A Boehmke, B de Nijs, D Berta, T Földes, S Sangtarash, E Rosta, Hatef Sadeghi and JJ Baumberg, Nature Communications 11, 5905, 2020. DOI: 10.1038/s41467-020-19703-yLink opens in a new window
  • Folding a Single-Molecule Junction, C Wu, D Bates, S Sangtarash, N Ferri, A Thomas, SJ Higgins, CM Robertson, RJ Nichols, Hatef Sadeghi, and A Vezzoli, Nano Letters, 20, 11, 7980–7986, 2020, DOI: 10.1021/acs.nanolett.0c02815Link opens in a new window
  • Controlled Quantum Dot Formation in Atomically Engineered Graphene Nanoribbon Field-Effect Transistors, ME Abbassi, ML Perrin, GB Barin, S Sangtarash, J Overbeck, O Braun, C Lambert, Q Sun, T Prechtl, A Narita, K Müllen, P Ruffieux, Hatef Sadeghi, R Fasel and M Calame, ACS Nano, 14, 5, 5754–5762, 2020, DOI: 10.1021/acsnano.0c00604Link opens in a new window
  • Switching Quantum Interference in Phenoxyquinone Single Molecule Junction with Light, A Daaoub,S Sangtarash and Hatef Sadeghi, Nanomaterials, 10, 8, 1544, 2020, DOI: 10.3390/nano10081544Link opens in a new window
  • Radical Enhancement of Molecular Thermoelectric Efficiency, S Sangtarash, Hatef Sadeghi, Nanoscale Advances (Communication), 2, 3, 1031-1035, 2020, DOI: 10.1039/C9NA00649DLink opens in a new window
  • Cross-plane transport in a single-molecule two-dimensional van der Waals heterojunction, S Zhao, Q Wu, J Pi, J Liu, J Zheng, S Hou, J Wei, R Li, Hatef Sadeghi, Y Yang, J Shi, Z Chen, Z Xiao, C Lambert, W Hong, Science Advances, 6, 22, eaba6714, 2020, DOI: 10.1126/sciadv.aba6714Link opens in a new window
  • Robust graphene-based molecular devices, ME Abbassi, S Sangtarash, X Liu, ML Perrin, O Braun, CJ Lambert, H van der Zant, S Yitzchaik, S Decurtins, SX Liu, Hatef Sadeghi, M Calame, Nature Nanotechnology, 14, 10, 957-961, 2019, DOI: 10.1038/s41565-019-0533-8Link opens in a new window
  • Anti-resonance features of destructive quantum interference in single-molecule thiophene junctions achieved by electrochemical gating, J Bai, A Daaoub, S Sangtarash, X Li, Y Tang, Q Zou, Hatef Sadeghi, S Liu, X Huang, Z Tan, J Liu, Y Yang, J Shi, G Meszaros, W Chen, CJ Lambert, W Hong, Nature Materials, 18, 4, 364-369, 2019. DOI: 10.1038/s41563-018-0265-4Link opens in a new window
  • Thermal transport through single molecule junctions, N Mosso, Hatef Sadeghi, A Gemma, S Sangtarash, CJ Lambert, B Gotsmann, Nano Letters, 19, 11, 7614-7622, 2019. DOI: 10.1021/acs.nanolett.9b02089Link opens in a new window
  • Turning the Tap: Conformational Control of Quantum Interference to Modulate Single Molecule Conductance, F Jiang, D Trupp, N Algethami, H Zheng, W He, A Alqorashi, C Zhu, C Tang, R Li, J Liu, Hatef Sadeghi, J Shi, R Davidson, M Korb, M Naher, AN Sobolev, S Sangtarash, PJ Low, W Hong, C Lambert, Angewandte Chemie International Edition, 131, 19163–19169, 2019, DOI: 10.1002/anie.201909461
  • Discriminating Seebeck sensing of molecules, Hatef Sadeghi, Physical Chemistry Chemical Physics, 21, 5, 2378-2381, 2019, DOI: 10.1039/C8CP05991HLink opens in a new window
  • Unusual Length-Dependence of Conductance in Cumulene Molecular Wire, W Xu, E Leary, S Hou, S Sangtarash, T Gonzalez, G Rubio-Bollinger, Q Wu, Hatef Sadeghi, L Tejerina, K Christensen, N Agrait, S Higgins, CJ Lambert, R Nichols, HL Anderson, Angewandte Chemie International Edition, 58, 25, 8378-8382, 2019, DOI: 10.1002/anie.201901228Link opens in a new window
  • Atomically defined angstrom-scale all-carbon junctions, Z Tan, D Zhang, H Tian, Q Wu, S Hou, J Pi, Hatef Sadeghi, Z Tang, Y Yang, J Liu, Y Tan, Z Chen, J Shi, Z Xiao, CJ Lambert, S Xie, W Hong, Nature Communications, 10, 1748, 2019. DOI: 10.1038/s41467-019-09793-8Link opens in a new window
  • Quantum and Phonon Interference Enhanced Molecular-Scale Thermoelectricity, Hatef Sadeghi, The Journal of Physical Chemistry C, 123 , 20 , 12556-12562, 2019, DOI: 10.1021/acs.jpcc.8b12538Link opens in a new window
  • Magnetic edge states, spin dynamics and coherent manipulation of molecular graphene nanoribbons, M Slota, A Keerthi, WK Myers, E Tretyakov, M Baumgarten, A Ardavan, Hatef Sadeghi, CJ Lambert, A Narita, K Müllen, L Bogani, Nature, 557, 7707, 691-695, 2018. DOI: 10.1038/s41586-018-0154-7Link opens in a new window
  • The conductance of porphyrin-based molecular nanowires increases with length, N Algethami, Hatef Sadeghi, S Sangtarash, and CJ Lambert, Nano Letters, 18, 7, 4482-4486, 2018. DOI: 10.1021/acs.nanolett.8b01621Link opens in a new window
  • Low-frequency noise in graphene tunnel junctions, P Puczkarski, Q Wu, Hatef Sadeghi, S Hou, A Karimi, Y Sheng, JH Warner, CJ Lambert, GAD Briggs, JA Mol, ACS Nano, 12, 9, 9451-9460, 2018. DOI: 10.1021/acsnano.8b04713Link opens in a new window
  • Theory of Electron, Phonon and Spin Transport in Nanoscale Quantum Devices, Hatef Sadeghi, Nanotechnology, 29, 37, 373001, 2018. DOI: 10.1088/1361-6528/aace21Link opens in a new window
  • Breakdown of Curly Arrow Rules in Anthraquinone, J Alqahtani, Hatef Sadeghi, S Sangtarash, CJ Lambert, Angewandte Chemie International Edition, 57, 57, 15065-15069, 2018. DOI: 10.1002/anie.201807257Link opens in a new window
  • Anchor groups for graphene-porphyrin single-molecule transistors, B Limburg, JO Thomas, G Holloway, Hatef Sadeghi, S Sangtarash, IC Hou, J Cremers, A Narita, K Müllen, CJ Lambert,GAD Briggs, J Mol, and HL Anderson, Advanced Functional Materials, 28, 1803629, 2018. DOI: 10.1002/adfm.201803629Link opens in a new window
  • Toward high thermoelectric performance of thiophene and ethylenedioxythiophene (EDOT) molecular wires, M Famili, IM Grace, Q Al-Galiby, Hatef Sadeghi, CJ Lambert, Advanced Functional Materials, 28, 15, 1703135, 2018, DOI: 10.1002/adfm.201703135Link opens in a new window
  • Robust molecular anchoring to graphene electrodes, Hatef Sadeghi, S Sangtarash, C Lambert, Nano Letters, 17, 8, 4611-4618, 2017. DOI: 10.1021/acs.nanolett.7b01001Link opens in a new window
  • Distinguishing lead and molecule states in graphene-based single-electron transistors, P Gehring, JK Sowa, J Cremers, Q Wu, Hatef Sadeghi, Y Sheng, JH Warner, CJ Lambert, GAD Briggs, JA Mol, ACS Nano, 11, 5, 4739-4745, 2017. DOI: 10.1021/acsnano.7b00570Link opens in a new window
  • Gating of quantum interference in molecular junctions by heteroatom substitution, X Liu, S Sangtarash, D Reber, D Zhang, Hatef Sadeghi, J Shi, ZY Xiao, W Hong, CJ Lambert, SX Liu, Angewandte Chemie International Edition, 56, 1, 173-176, 2017. DOI: 10.1002/anie.201609051Link opens in a new window
  • Protonation tuning of quantum interference in azulene-type single-molecule junctions, G Yang, S Sangtarash, Z Liu, X Li, Hatef Sadeghi, Z Tan, R Li, J Zheng, X Dong, J Liu, Y Yang, J Shi, Z Xiao, G Zhang, CJ Lambert, W Hong, D Zhang, Chemical Science, 8 11, 7505-7509, 2017. DOI: 10.1039/C7SC01014ALink opens in a new window
  • Quantum interference in graphene nanoconstrictions, P Gehring, Hatef Sadeghi, S Sangtarash, CS Lau, J Liu, A Ardavan, JH Warner, CJ Lambert, GAD Briggs, JA Mol, Nano Letters, 16, 7, 4210-4216, 2016. DOI: 10.1021/acs.nanolett.6b01104Link opens in a new window
  • Cross-plane enhanced thermoelectricity and phonon suppression in graphene/MoS2 van der Waals heterostructures, Hatef Sadeghi, S Sangtarash, CJ Lambert, 2D Materials, 4, 1, 015012, 2016. DOI: 10.1088/2053-1583/4/1/015012Link opens in a new window
  • Functionalization mediates heat transport in graphene nanoflakes, H Han, Y Zhang, N Wang, MK Samani, Y Ni, ZY Mijbil, M Edwards, S Xiong, K Saaskilahti, M Murugesan, Y Fu, L Ye, Hatef Sadeghi, S Bailey, YA Kosevich, CJ Lambert, J Liu, S Volz, Nature Communications, 7, 11281, 2016, DOI: 10.1038/ncomms11281Link opens in a new window
  • Conductance enlargement in picoscale electroburnt graphene nanojunctions, Hatef Sadeghi, JA Mol, CS Lau, GAD Briggs, J Warner and CJ Lambert, Proceedings of the National Academy of Sciences (PNAS), 112, 9, 2658-2663, 2015. DOI: 10.1073/pnas.1418632112Link opens in a new window
  • Oligoyne molecular junctions for efficient room temperature thermoelectric power generation, Hatef Sadeghi, S Sangtarash, CJ Lambert, Nano Letters, 15, 11, 7467-7472, 2015. DOI: 10.1021/acs.nanolett.5b03033Link opens in a new window
  • A quantum circuit rule for interference effects in single-molecule electrical junctions, DZ Manrique, C Huang, M Baghernejad, X Zhao, OA Al-Owaedi, Hatef Sadeghi, V Kaliginedi, W Hong, M Gulcur, T Wandlowski, MR Bryce and CJ Lambert, Nature Communications, 6, 6389, 2015. DOI: 10.1038/ncomms7389Link opens in a new window
  • Redox-dependent Franck-Condon blockade and avalanche transport in a graphene-fullerene single-molecule transistor, CS Lau, Hatef Sadeghi, G Rogers, S Sangtarash, P Dallas, K Porfyrakis, J Warner, CJ Lambert, GAD Briggs, JA Mol, Nano Letters, 16, 1, 170-176, 2015. DOI: 10.1021/acs.nanolett.5b03434Link opens in a new window
  • Searching the hearts of graphene-like molecules for simplicity, sensitivity, and logic, S Sangtarash, C Huang, Hatef Sadeghi, G Sorohhov, J Hauser, T Wandlowski, W Hong, S Decurtins, SX Liu, CJ Lambert, Journal of the American Chemical Society (JACS), 137, 35, 11425-11431, 2015. DOI: 10.1021/jacs.5b06558Link opens in a new window
  • Magic ratios for connectivity-driven electrical conductance of graphene-like molecules, Y Geng, S Sangtarash, C Huang, Hatef Sadeghi, Y Fu, W Hong, T Wandlowski, S Decurtins, CJ Lambert and S Liu, Journal of the American Chemical Society (JACS), 137, 13, 4469-4476, 2015. DOI: 10.1021/jacs.5b00335Link opens in a new window
  • Graphene-porphyrin single-molecule transistors, JA Mol, CS Lau, WJM Lewis, Hatef Sadeghi, C Roche, A Cnossen, JH Warner, CJ Lambert, HL Anderson, GAD Briggs, Nanoscale, 7, 31, 13181-13185, 2015. DOI: 10.1039/C5NR03294FLink opens in a new window

Projects and Grants

  • The UKRI Future Leaders Fellowship - Renewal, Principle investigator, No: MR/X015181/1
    Project Title: Hybrid Molecular Energy Harvesting (HiMOL).
    Value: £988,127.39
    Duration: 01/11/2023 - 30/10/2026
  • Horizon Europe EIC PathFinderOpen - UKRI InnovateUK Guarantee Scheme, Principle investigator, No: 101099098
    Project Title: Atomically Precise Nanoribbons Quantum Platform (ATYPIQUAL).
    Value: €3.4M (Warwick share: £772K)
    Duration: 01/10/2023 - 31/03/2027
  • Royal Society - International Exchanges, Principle investigator, No: IES\R3\92223170
    Project Title: Enhancement of photocatalytic dehydrogenation activity using quantum interference.
    Value: £12K
    Duration: 31/03/2023 - 30/03/2025
  • The UKRI Future Leaders Fellowship, Principle investigator, No: MR/S015329/2
    Project Title: Exploiting quantum and phonon interference for molecular thermoelectricity and Seebeck sensing (MoQPI).
    Value: £932,096.00
    Duration: 01/05/2019 - 30/10/2023 —
  • FLF Development Network - Plus Funds, Principle investigator, No: PF007
    Project Title: Future Leaders Network for Nanoscale Energy Harvesting.
    Value: £24,948.90
    Duration: 01/12/2021 - 01/12/2022 —
  • University of Warwick Capital Fund, Principle investigator
    Project Title: Equipment Fund to Purchase dedicated Computing Nodes
    Value: £35,000.00
    Duration: 01/01/2020
  • The Leverhulme Trust Early Career Fellowship, Principle investigator, No: ECF-2017-186
    Project Title: Quantum and Phonon Interference in Molecular-scale Thermoelectric Materials.
    Value: £120,000.00
    Duration: 01/05/2018 - 30/04/2021 —