MoQPI Project

MR/S015329/1 & MR/S015329/2 | 1 May 2019 - 30 April 2023

UKRI Future Leaders Fellowship

Exploiting quantum and phonon interference for molecular thermoelectricity and Seebeck sensing (Years 1-4)

Go to HiMol page for UKRI FLF Renewal (Years 5-7)

This projects aims to exploit room-temperature quantum and phonon interference in radically-new cross-plane nanodevice architectures to design new high-efficiency thermoelectric materials and devices for converting waste heat into electricity. Furthermore, MoQPI aims to explore the potential of utilising the Seebeck coefficient of molecular-scale devices for the discriminating sensing of biomolecules (Seebeck sensing).

Advisory Board and Project Partners

Professor Andrew Briggs, Department of Materials, University of Oxford, UK

Professor Chris Ford, Cavendish Laboratory, University of Cambridge, UK

Professor Nicolás Agraït, Department of Condensed Matter Physics, Universidad Autónoma de Madrid, Spain

Dr. Bernd Gotsmann, IBM-Zurich Research Laboratory, Switzerland

Dr. Shi-Xia Liu, Departement für Chemie und Biochemie, Universität Bern, Switzerland

posterUKRIFLF.pdf

Publications

60. Electronically Perturbed Vibrational Excitations of the Luminescing Stable Blatter Radical

J Bar-David, A Daaoub, S Chen, SM Sibug-Torres, S Rocchetti, G Kang, RJ Davidson, RJ Salthouse, C Guo, N Sven Mueller, S Sangtarash, MR Bryce, Hatef Sadeghi, and JJ Baumberg, ACS Nano, Vol. , no. , pp. , 2025. DOI: 10.1021/acsnano.4c09661

59. Single‐Molecule Mechanoresistivity by Intermetallic Bonding

A Sil, CE Spano, Y Chelli, SJ Higgins, S Sangtarash, G Piccinini, M Graziano, RJ Nichols, Hatef Sadeghi, and A Vezzoli, Angewandte Chemie International Edition, Vol. , no. , pp. e202418062, 2025. DOI: 10.1002/anie.202418062

58. Highly Efficient Thermoelectric Converters based on Metalloporphyrin Nanotubes

QH Al-Galiby , LA Algharagholy, Hatef Sadeghi and VG Suarez, Journal of Materials Chemistry A, Vol. , no. , pp. , 2025. DOI: 10.1039/D4TA08282F

57. Zero‐Bias Anti‐Ohmic Behaviour in Diradicaloid Molecular Wires

A Sil, L Hamilton, J MF Morris, A HS Daaoub, JHH Burrows, CM Robertson, K Luzyanin, SJ Higgins, Hatef Sadeghi, RJ Nichols, S Sangtarash, and A Vezzoli, Angewandte Chemie International Edition, Vol. 63, no. 44, pp. e202410304, 2024. DOI: 10.1002/anie.202410304

56. Thermopower in Underpotential Deposition Based Molecular Junctions

P He, A Daaoub, S Sangtarash, Hatef Sadeghi, and HJ Yoon, Nano Letters, Vol. 24, no. 6, pp. 1988–1995, 2024. DOI: 10.1021/acs.nanolett.3c04438

55. 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. 63, no. 19, pp. e202402413, 2024. DOI: 10.1002/anie.202402413

54. An Orthogonal Conductance Pathway in Spiropyrans for Well-Defined Electrosteric Switching Single-Molecule Junctions

D Jago, C Liu, AHS Daaoub, E Gaschk, MC Walkey, T Pulbrook, X Qiao, AN Sobolev, AA Moggach, D Costa-Milan, SJ Higgins, MJ Piggott, Hatef Sadeghi, RJ Nichols, S Sangtarash, A Vezzoli, GA Koutsantonis, Small, Vol. 20, no. 8, pp. 2306334, 2024. DOI: 10.1002/smll.202306334

53. 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. 20, no. 25, pp. 2308865, 2024. DOI: 10.1002/smll.202308865

52. Exploring the Impact of the HOMO–LUMO Gap on Molecular Thermoelectric Properties: A Comparative Study of Conjugated Aromatic, Quinoidal, and Donor–Acceptor Core Systems

N Blankevoort, P Bastante, R J. Davidson, RJ Salthouse, A Daaoub, P Cea, S Martin, AS Batsanov, S Sangtarash, MR Bryce, N Agrait, and Hatef Sadeghi, ACS Omega, Vol. 9, no. 7, pp. 8471–8477, 2024. DOI: 10.1021/acsomega.3c09760

51. Large Mechanosensitive Thermoelectric Enhancement in Metallo-Organic Magnetic Molecules

M Alsaqer, AHS Daaoub, S Sangtarash, and Hatef Sadeghi, Nano Letters, Vol. 23, no. 23, pp. 10719–10724, 2023. DOI: 10.1021/acs.nanolett.3c02569

50. 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 Electronics, Vol. 6, pp. 572–581, 2023. DOI: 10.1038/s41928-023-00991-3

49. 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

48. 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

47. Influence of Environmental Fluctuations on Quantum Interference in Naphthalene and Azulene

J Alqahtani, S Sangtarash, and Hatef Sadeghi, Small Science, Vol. 3, pp. 2300075, 2023. DOI: 10.1002/smsc.202300075 - Small Science Editors' Choice (https://onlinelibrary.wiley.com/doi/toc/10.1002/(ISSN)2688-4046.editors-choice)

46. 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. 135, no. 24, pp. e202302150, 2023. DOI: 10.1002/anie.202302150

45. 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.3c01280

43. 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. 20, no. 8, pp. 2306334, 2023. DOI: 10.1002/smll.202306334

42. 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. 14, no. 22, pp. 6079-6086, 2023. DOI: 10.1039/D3SC00075C

41. Ordered Arrays of Gold Nanoparticles Crosslinked by Dithioacetate Linkers for Molecular Devices

M Asaad, A Vezzoli, A Daaoub, J Borowiec, E Pyurbeeva, Hatef Sadeghi, S Sangtarash, S Higgins and J Mol, Journal of Materials Chemistry C, Vol. 11, no. 16, pp. 5431-5437, 2023. DOI: 10.1039/D3TC00145H

40. Planar aromatic anchors control the electrical conductance of gold| molecule| graphene junctions

LJ O'Driscoll, M Jay, BJ Robinson, Hatef Sadeghi, X Wang, B Penhale-Jones, MR Bryce, CJ Lambert, Nanoscale Advances, Vol. 5, no. 8, pp. 2299-2306, 2023. DOI: 10.1039/D2NA00873D

39. Connectivity dependent conductance of 2,2′-bipyridine based metal complexes

Y Chelli, N Ferri, A Vezzoli, R Davidson, J Morris, R Nichols, SJ Higgins, S Sangtarash, Hatef Sadeghi, D Yufit, and A Beeby, ACS Omega, Vol. 8, no. 51, pp. 48958–48965, 2023. DOI: 10.1021/acsomega.3c06555

38. Determination of electric and thermoelectric properties of molecular junctions by AFM in peak force tapping mode

X Wang, A Lamantia, M Jay, Hatef Sadeghi, CJ Lambert, OV Kolosov, B Robinson, Nanotechnology, Vol. 34, no. 38, pp. 385704, 2023. DOI: 10.1088/1361-6528/acdf67

37. 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

36. 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.2211786119

35. 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.1c03698

34. 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.2c01851

33. 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 Chemie International Edition, Vol. 61, pp. e2021169, 2022. DOI: 10.1002/anie.202116985

32. Vibrational Stark Effects: Ionic Influence on Local Fields

D Wright, S Sangtarash, NS Mueller, Q Lin, Hatef Sadeghi, and JJ Baumberg, The Journal of Physical Chemistry Letters, Vol. 13, no. 22, pp. 4905–4911, 2022. DOI: 10.1021/acs.jpclett.2c01048

31. Low Thermal Conductivity in Franckeite Heterostructures

J Spièce, S Sangtarash, M Mucientes, AJ. Molina-Mendoza, K Lulla, T Mueller, OV Kolosov, Hatef Sadeghi and C Evangeli, Nanoscale (Communication), Vol. 14, no. 7, pp. 2593-2598, 2022. DOI: 10.1039/D1NR07889E

30. Thermoelectric properties of organic thin films enhanced by π-π stacking

X Wang, S Sangtarash, A Lamantia, H Dekkiche, L Forcieri, OV Kolosov, S Jarvis, MR Bryce, CJ Lambert, Hatef Sadeghi and B Robinson, Journal of Physics: Energy, Vol. 4, pp. 024002, 2022. DOI: 10.1088/2515-7655/ac55a3

29. 2,7– and 4,9–Dialkynyldihydropyrene Molecular Switches: Syntheses, Properties and Charge Transport in Single Molecule Junctions

M Roemer, A Gillespie, D Jago, D Costa-Milan, J Alqahtani, J Hurtado-Gallego, Hatef Sadeghi, CJ Lambert, PR Spackman, AN Sobolev, BW Skelton, A Grosjean, M Walkey, S Kampmann, A Vezzoli, PV Simpson, M Massi, I Planje, G Rubio-Bollinger, N Agraït, SJ Higgins, S Sangtarash, MJ Piggott, RJ Nichols, GA Koutsantonis, Journal of the American Chemical Society (JACS), Vol. 144, no. 28, pp. 12698–12714, 2022. DOI: 10.1021/jacs.2c02289

28. Discriminating sensing of explosive molecules using graphene–boron nitride–graphene heteronanosheets

L Algharagholy, Q Al-Galiby, A Al-Backri, Hatef Sadeghi and A Wabdan, RSC Advances, Vol. 12, no. 54, pp. 35151-35157, 2022. DOI: 10.1039/D2RA06125B

27. 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.1c00928

26. 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

25. Heteroatom Effects on Quantum Interference in Molecular Junctions: Modulating Antiresonances by Molecular Design

LJ O’Driscoll, S Sangtarash, W Xu, A Daaoub, W Hong, Hatef Sadeghi and MR Bryce, The Journal of Physical Chemistry C, Vol. 125, no. 31, pp. 17385–17391, 2021. DOI: 10.1021/acs.jpcc.1c04242

24. Selective Sensing of 2, 4, 6-Trinitrotoluene and Triacetone Triperoxide using Carbon/Boron Nitride Heteronanotubes

LA Algharagholy, Hatef Sadeghi, AA Al-Backri, Materials Today Communications, Vol. 28, pp. 102739, 2021. DOI: 10.1016/j.mtcomm.2021.102739

23. Selective Anchoring Groups for Molecular Electronic Junctions with ITO Electrodes

IJ Planje, RJ Davidson, A Vezzoli, A Daaoub, S Sangtarash, Hatef Sadeghi, S Martín, P Cea, CJ Lambert, A Beeby, SJ Higgins and RJ Nichols, ACS Sensors, Vol. 6, no. 2, pp. 530–537, 2021. DOI: 10.1021/acssensors.0c02205

22. Single-Atom Control of Electrical Conductance and Thermopower Through Single-Cluster Junctions

S Yuan, X Xu, A Daaoub, C Fang, W Cao, H Chen, S Sangtarash, J Zhang, Hatef Sadeghi, W Hong, Nanoscale, Vol. 13, no. 29, pp. 12594-12601, 2021. DOI: 10.1039/D1NR02734D

21. The Effect of Anchor Group on the Phonon Thermal Conductance of Single Molecule Junctions (invited)

M Noori, S Sangtarash and Hatef Sadeghi, Applied Sciences, Vol. 11, pp. 1066, 2021. DOI: 10.3390/app11031066

20. Thermoelectric Properties of Pristine Graphyne and the BN-Doped Graphyne Family

J Deb, R Mondal, U Sarkar and Hatef Sadeghi, ACS Omega, Vol. 6, no. 31, pp. 20149–20157, 2021. DOI: 10.1021/acsomega.1c01538

19. 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 Vol. 11, pp. 5905, 2020. DOI: 10.1038/s41467-020-19703-y

18. 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, Vol. 20, No. 11, pp. 7980–7986, 2020, DOI: 10.1021/acs.nanolett.0c02815

17. 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, Vol. 14, No. 5, pp. 5754–5762, 2020, DOI: 10.1021/acsnano.0c00604

16. Switching Quantum Interference in Phenoxyquinone Single Molecule Junction with Light

A Daaoub,S Sangtarash and Hatef Sadeghi, Nanomaterials, Vol. 10, No. 8, pp. 1544, 2020, DOI: 10.3390/nano10081544

15. Radical Enhancement of Molecular Thermoelectric Efficiency

S Sangtarash, Hatef Sadeghi, Nanoscale Advances (Communication), Vol. 2, No. 3, pp. 1031-1035, 2020, DOI: 10.1039/C9NA00649D

14. Carbazole‐Based Tetrapodal Anchor Groups for Gold Surfaces: Synthesis and Conductance Properties

L O'Driscoll, X Wang, M Jay, A Batsanov, Hatef Sadeghi, C Lambert, B Robinson, MR Bryce, Angewandte Chemie International Edition, Vol. 59, pp. 882–889, 2020, DOI: 10.1002/anie.201911652

13. 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, Vol. 6, No. 22, pp. eaba6714, 2020, DOI: 10.1126/sciadv.aba6714

12. Bottom-up Synthesis of Nitrogen-doped Porous Graphene Nanoribbons

R Pawlak, X Liu, S Ninova, P d'Astolfo, C Drechsel, S Sangtarash, R Häner, S Decurtins, Hatef Sadeghi, C Lambert, U Aschauer, S Liu, E Meyer, Journal of the American Chemical Society (JACS), Vol. 142, No. 29, pp. 12568–12573, 2020, DOI: 10.1021/jacs.0c03946

11. In situ formation of H-bonding imidazole chains in break-junction experiments

C Wu, A Alqahtani, S Sangtarash, A Vezzoli, Hatef Sadeghi, CM Robertson, C Cai, C Lambert, SJ Higgins, RJ Nichols, Nanoscale, Vol. 12, No. 14, pp. 7914-7920, 2020, DOI: 10.1039/D0NR00630K

10. Solvent-molecule interaction induced gating of charge transport through single-molecule junctions

Z Tang, S Hou, Q Wu, Z Tan, J Zheng, R Li, J Liu, Y Yang, Hatef Sadeghi, J Shi, I Grace, C Lambert, W Hong, Science Bulletin, Vol. 65, No. 11, pp. 944-950, 2020, DOI: 10.1016/j.scib.2020.03.012

9. 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, Vol. 14, No. 10, pp. 957-961, 2019, DOI: 10.1038/s41565-019-0533-8

8. Thermal transport through single molecule junctions

N Mosso, Hatef Sadeghi, A Gemma, S Sangtarash, CJ Lambert, B Gotsmann, Nano Letters, Vol. 19, No. 11, pp. 7614-7622, 2019. DOI: 10.1021/acs.nanolett.9b02089

7. 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, Vol. 131, pp. 19163–19169, 2019, DOI: 10.1002/anie.201909461

6. Hemilabile ligands as mechanosensitive electrode contacts for molecular electronics

N Ferri N Algethami A Vezzoli S Sangtarash, M McLaughlin, Hatef Sadeghi, CJ Lambert, RJ Nichols SJ Higgins, Angewandte Chemie International Edition, Vol. 131, pp. 16736 – 16742, 2019, DOI: 10.1002/ange.201906400

5. Nanoscale Thermal Transport in 2D Nanostructures from Cryogenic to Room Temperature

C Evangeli, J Spiece , S Sangtarash, AJ Molina‐Mendoza, M Mucientes, T Mueller, CJ Lambert, Hatef Sadeghi, O Kolosov, Advanced Electronic Materials, Vol. 5, pp. 1900331, 2019, DOI: 10.1002/aelm.201900331

4. Cross-conjugation increases the conductance of meta-connected fluorenones

A Alanazy, E Leary, T Kobatake, S Sangtarash, MT González, H Jiang, GR Bollinger, N Agräit, Hatef Sadeghi, I Grace, SJ Higgins, HL Anderson, RJ Nichols and CJ Lambert, Nanoscale, Vol. 11, pp. 13720-13724, 2019, DOI: 10.1039/c9nr01235d

3. 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, Vol. 58, No. 25, pp. 8378-8382, 2019, DOI: 10.1002/anie.201901228

2. 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, Vol. 10, pp. 1748, 2019. DOI: 10.1038/s41467-019-09793-8

1. Quantum and Phonon Interference Enhanced Molecular-Scale Thermoelectricity

Hatef Sadeghi, The Journal of Physical Chemistry C, Vol. 123 , No. 20 , pp. 12556-12562, 2019, DOI: 10.1021/acs.jpcc.8b12538

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