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Dr Hatef Sadeghi

Hatef Sadeghi

Dr Hatef Sadeghi

Associate Professor in Multiscale Modelling

Head of Device Modelling Group

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

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Dr. Sadeghi is an Associate Professor in Multiscale Modelling and UKRI Future Leaders Fellow within the School of Engineering and Warwick Centre for Predictive Modelling and head of Device Modelling group.

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 two prestigious fellowships, the Leverhulme Trust Early Career Fellowship in June 2017 and the UKRI Future Leaders Fellowship in Feb 2019.

He has published more than 120 peer-reviewed papers in high ranked journals such as Nature, Nat. Mat, Nat. Nano, Nat Comm., Nano Lett. ACS Nano, JACS, Adv. Fun. Mat, Angewadte, Nanoscale. He co-created the next generation quantum transport code "Gollum".

Research Interests

Nanoscale Electronic Devices, Transistors, Sensors and Applications: Theoretical and Computational Physical Sciences; Electrical, Vibrational, Magnetic and Thermal Properties of Nanoscale Devices; Semiconductor Physics

  • Nanoscale material modelling and discovery i.e. 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. Van-der Waals heterostructures; Graphene nanojunctions
  • Multiscale modelling i.e. Density functional theory; Tight-binding modelling; Molecular dynamics; Quantum transport
  • GOLLUM: We co-develop the next generation quantum transport simulation tool: GOLLUM

Teaching Interests

Selected Publications

For full list of publication, visit:


  • 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), 143, 25 , 9385–9392, 2021. DOI: 10.1021/jacs.1c00928
  • Genomics of Carbon Atomic Chains, A Daaoub, C Lambert and Hatef Sadeghi, Carbon, Vol. 183, pp. 977-983, 2021. DOI: 10.1016/j.carbon.2021.07.079
  • 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-y
  • 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.0c02815
  • 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.0c00604
  • 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/nano10081544
  • Radical Enhancement of Molecular Thermoelectric Efficiency, S Sangtarash, Hatef Sadeghi, Nanoscale Advances (Communication), 2, 3, 1031-1035, 2020, DOI: 10.1039/C9NA00649D
  • 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.aba6714
  • 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/s41565-019-0533-8
  • 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/s41563-018-0265-4
  • 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.9b02089
  • 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/C8CP05991H
  • 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.201901228
  • 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/s41467-019-09793-8
  • 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.8b12538
  • 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/s41586-018-0154-7
  • 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.8b01621
  • 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.8b04713
  • Theory of Electron, Phonon and Spin Transport in Nanoscale Quantum Devices, Hatef Sadeghi, Nanotechnology, 29, 37, 373001, 2018. DOI: 10.1088/1361-6528/aace21
  • 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.201807257
  • 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.201803629
  • 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.201703135
  • Robust molecular anchoring to graphene electrodes, Hatef Sadeghi, S Sangtarash, C Lambert, Nano Letters, 17, 8, 4611-4618, 2017. DOI: 10.1021/acs.nanolett.7b01001
  • 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.7b00570
  • 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.201609051
  • 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/C7SC01014A
  • 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.6b01104
  • 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: 10.1088/2053-1583/4/1/015012
  • 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/ncomms11281
  • 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.1418632112
  • 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.5b03033
  • 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/ncomms7389
  • 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.5b03434
  • 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.5b06558
  • 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.5b00335
  • 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/C5NR03294F

Projects and Grants