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Dr Iain Grace

Formerly at Lancaster University

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  1. Chapter
  2. Published

    Controlled electron transport in single molecules.

    Grace, I. M., Bailey, S. W. & Lambert, C. J., 2004, Molecular nanowires and other quantum objects. Alexandrov, A. S., Demsar, J. & Yanson, I. K. (eds.). 148 ed. London: Kluwer Academic Publishers, p. 13-21 9 p. (NATO science series., Series II, Mathematics, physics, and chemistry).

    Research output: Contribution in Book/Report/Proceedings - With ISBN/ISSN › Chapter

  3. Published

    Electron transport in carbon nanotubes.

    Lambert, C. J., Athanasopoloulos, S., Grace, I. M. & Bailey, S. W., 2004, Proceedings of the 3rd international CIMTEC conference: computer modelling and simulation of materials. RTNNANO, p. 355

    Research output: Contribution in Book/Report/Proceedings - With ISBN/ISSN › Chapter

  4. Conference contribution/Paper
  5. Published

    Controlled electron transport through single molecules

    Lambert, C., Grace, I. & Papadopoulos, T., 2006, Nanoscience and Nanotechnology, 2006. ICONN '06. International Conference on. New York: IEEE, p. 635-642 8 p.

    Research output: Contribution in Book/Report/Proceedings - With ISBN/ISSN › Conference contribution/Paper › peer-review

  6. Journal article
  7. E-pub ahead of print

    Quantum interference enhances the performance of single-molecule transistors

    Chen, Z., Grace, I. M., Woltering, S. L., Chen, L., Gee, A., Baugh, J., Briggs, G. A. D., Bogani, L., Mol, J. A., Lambert, C. J., Anderson, H. L. & Thomas, J. O., 25/03/2024, (E-pub ahead of print) In: Nature Nanotechnology.

    Research output: Contribution to Journal/Magazine › Journal article › peer-review

  8. Published

    Quantum interference dependence on molecular configurations for cross-conjugated systems in single-molecule junctions

    Hurtado-Gallego, J., Davidson, R., Grace, I. M., Rincón-García, L., Batsanov, A. S., Bryce, M. R., Lambert, C. J. & Agraït, N., 31/10/2022, In: Molecular Systems Design & Engineering. 7, 10, p. 1287-1293 7 p.

    Research output: Contribution to Journal/Magazine › Journal article › peer-review

  9. Published

    Assembly, structure and thermoelectric properties of 1,1’-dialkynylferrocene ‘hinges’

    Wilkinson, L. A., Bennett, T., Grace, I., Hamill, J., Wang, X., Au-Yong, S., Ismael, A., Jarvis, S., Hou, S., Albrecht, T., Cohen, L. F., Lambert, C., Robinson, B. & Long, N. J., 28/07/2022, In: Chemical Science. 13, 28, p. 8380–8387 8 p.

    Research output: Contribution to Journal/Magazine › Journal article › peer-review

  10. Published

    Interference Controls Conductance in Phthalocyanine Molecular Junctions

    Gonzalez, M. T., Ismael, A., Garcia-Igleslias, M., Leary, E., Rubio-Bollinger, G., Grace, I., Gonzalez-Rodriguez, D., Torres, T., Lambert, C. & Agrait, N., 6/07/2021, In: The Journal of Physical Chemistry C. 125, 27, p. 15036-15043 8 p.

    Research output: Contribution to Journal/Magazine › Journal article › peer-review

  11. Published

    Molecular-scale thermoelectricity: As simple as 'ABC'

    Ismael, A., Al-Jobory, A., Wang, X., Alshehab, A., Almutlg, A., Alshammari, M., Grace, I., Benett, T. L. R., Wilkinson, L. A., Robinson, B. J., Long, N. J. & Lambert, C., 1/11/2020, In: Nanoscale Advances. 2, 11, p. 5329-5334 6 p.

    Research output: Contribution to Journal/Magazine › Journal article › peer-review

  12. Published

    Connectivity dependent thermopower of bridged biphenyl molecules in single-molecule junctions

    Grace, I. M., Olsen, G., Hurtado-Gallego, J., Rincón-García, L., Rubio-Bollinger, G., Bryce, M. R., Agraït, N. & Lambert, C. J., 21/07/2020, In: Nanoscale. 12, 27, p. 14682-14688 7 p.

    Research output: Contribution to Journal/Magazine › Journal article › peer-review

  13. Published

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

    Tang, Z., Hou, S., Wu, Q., Tan, Z., Zheng, J., Li, R., Liu, J., Yang, Y., Sadeghi, H., Shi, J., Grace, I., Lambert, C. & Hong, W., 15/06/2020, In: Science Bulletin. 65, 11, p. 944-950 7 p.

    Research output: Contribution to Journal/Magazine › Journal article › peer-review

  14. Published

    Redox Control of Charge Transport in Vertical Ferrocene Molecular Tunnel Junctions

    Jia, C., Grace, I. M., Wang, P., Almeshal, A., Huang, Z., Wang, Y., Chen, P., Wang, L., Zhou, J., Feng, Z., Zhao, Z., Huang, Y., Lambert, C. J. & Duan, X., 14/05/2020, In: Chem. 6, 5, p. 1172-1182 11 p.

    Research output: Contribution to Journal/Magazine › Journal article › peer-review

  15. Published

    Electrical molecular switch addressed by chemical stimuli

    Audi, H., Viero, Y., Alwhaibi, N., Chen, Z., Iazykov, M., Heynderickx, A., Xiao, F., Guérin, D., Krzeminski, C., Grace, I. M., Lambert, C. J., Siri, O., Vuillaume, D., Lenfant, S. & Klein, H., 14/05/2020, In: Nanoscale. 12, 18, p. 10127-10139 13 p.

    Research output: Contribution to Journal/Magazine › Journal article › peer-review

  16. Published

    Scale-Up of Room-Temperature Constructive Quantum Interference from Single Molecules to Self-Assembled Molecular-Electronic Films

    Wang, X., Bennett, T., Ismael, A., Wilkinson, L., Hamill, J., White, A. J. P., Grace, I., Kolosov, O., Albrecht, T., Robinson, B., Long, N. J., Cohen, L. & Lambert, C., 13/05/2020, In: Journal of the American Chemical Society. 142, 19, p. 8555-8560 6 p.

    Research output: Contribution to Journal/Magazine › Journal article › peer-review

  17. Published

    Synthetic Control of Quantum Interference by Regulating Charge on a Single Atom in Heteroaromatic Molecular Junctions

    Naghibi, S., Ismael, A. K., Vezzoli, A., Al-Khaykanee, M. K., Zheng, X., Grace, I. M., Bethell, D., Higgins, S. J., Lambert, C. J. & Nichols, R. J., 17/10/2019, In: Journal of Physical Chemistry Letters. 10, 20, p. 6419-6424 6 p.

    Research output: Contribution to Journal/Magazine › Journal article › peer-review

  18. Published

    Cross-conjugation increases the conductance of: Meta-connected fluorenones

    Alanazy, A., Leary, E., Kobatake, T., Sangtarash, S., González, M. T., Jiang, H-W., Bollinger, G. R., Agräit, N., Sadeghi, H., Grace, I., Higgins, S. J., Anderson, H. L., Nichols, R. J. & Lambert, C. J., 7/08/2019, In: Nanoscale. 11, 29, p. 13720-13724 5 p.

    Research output: Contribution to Journal/Magazine › Journal article › peer-review

  19. Published

    Charge transfer complexation boosts molecular conductance through Fermi level pinning

    Wang, K., Vezzoli, A., Grace, I., McLaughlin, M., Nichols, R. J., Xu, B., Lambert, C. J. & Higgins, S. J., 28/02/2019, In: Chemical Science. 10, 8, p. 2396-2403 8 p.

    Research output: Contribution to Journal/Magazine › Journal article › peer-review

  20. Published

    Self-Assembled Molecular-Electronic Films Controlled by Room Temperature Quantum Interference

    Famili, M., Jia, C., Liu, X., Wang, P., Grace, I. M., Guo, J., Liu, Y., Feng, Z., Wang, Y., Zhao, Z., Decurtins, S., Häner, R., Huang, Y., Liu, S-X., Lambert, C. J. & Duan, X., 14/02/2019, In: Chem. 5, 2, p. 474-484 11 p.

    Research output: Contribution to Journal/Magazine › Journal article › peer-review

  21. Published

    Cross-plane conductance through a graphene/molecular monolayer/Au sandwich

    Li, B., Famili, M., Pensa, E., Grace, I., Long, N. J., Lambert, C., Albrecht, T. & Cohen, L. F., 14/11/2018, In: Nanoscale. 10, 42, p. 19791-19798 8 p.

    Research output: Contribution to Journal/Magazine › Journal article › peer-review

  22. Published

    Quantum interference mediated vertical molecular tunneling transistors

    Jia, C., Famili, M., Carlotti, M., Liu, Y., Wang, P., Grace, I. M., Feng, Z., Wang, Y., Zhao, Z., Ding, M., Xu, X., Wang, C., Lee, S-J., Huang, Y., Chiechi, R. C., Lambert, C. J. & Duan, X., 12/10/2018, In: Science Advances. 4, 10, 9 p., eaat8237.

    Research output: Contribution to Journal/Magazine › Journal article › peer-review

  23. Published

    Unconventional Single-Molecule Conductance Behavior for a New Heterocyclic Anchoring Group: Pyrazolyl

    Herrer, I. L., Ismael, A. K., Milán, D. C., Vezzoli, A., Martín, S., González-Orive, A., Grace, I., Lambert, C., Serrano, J. L., Nichols, R. J. & Cea, P., 20/09/2018, In: Journal of Physical Chemistry Letters. 9, 18, p. 5364-5372 9 p.

    Research output: Contribution to Journal/Magazine › Journal article › peer-review

  24. E-pub ahead of print

    Bias-driven conductance increase with length in porphyrin tapes

    Leary, E., Limburg, B., Alanazy, A., Sangtarash, S., Grace, I., Swada, K., Esdaile, L. J., Noori, M., González, M. T., Rubio-bollinger, G., Sadeghi, H., Hodgson, A., Agraït, N., Higgins, S. J., Lambert, C. J., Anderson, H. L. & Nichols, R. J., 12/09/2018, (E-pub ahead of print) In: Journal of the American Chemical Society.

    Research output: Contribution to Journal/Magazine › Journal article › peer-review

  25. Published

    Oscillating Seebeck coefficients in π-stacked molecular junctions

    Al-Khaykanee, M. K., Ismael, A. K., Grace, I. & Lambert, C. J., 10/07/2018, In: RSC Advances. 8, 44, p. 24711-24715 5 p.

    Research output: Contribution to Journal/Magazine › Journal article › peer-review

  26. Published

    Toward High Thermoelectric Performance of Thiophene and Ethylenedioxythiophene (EDOT) Molecular Wires

    Famili, M., Grace, I. M., Al-galiby, Q., Sadeghi, H. & Lambert, C. J., 11/04/2018, In: Advanced Functional Materials. 28, 15, 6 p., 1703135.

    Research output: Contribution to Journal/Magazine › Journal article › peer-review

  27. Published

    Gateway state-mediated, long-range tunnelling in molecular wires

    Sangtarash, S., Vezzoli, A., Sadeghi, H., Ferri, N., O'Brien, H. M., Grace, I., Bouffier, L., Higgins, S. J., Nichols, R. J. & Lambert, C. J., 14/02/2018, In: Nanoscale. 10, 6, p. 3060-3067 8 p.

    Research output: Contribution to Journal/Magazine › Journal article › peer-review

  28. Published

    Detecting Mechanochemical Atropisomerization within an STM Break Junction

    Leary, E., Roche, C., Jiang, H-W., Grace, I., Teresa Gonzalez, M., Rubio-Bollinger, G., Romero-Muniz, C., Xiong, Y., Al-Galiby, Q., Noori, M., Lebedeva, M. A., Porfyrakis, K., Agrait, N., Hodgson, A., Higgins, S. J., Lambert, C. J., Anderson, H. L. & Nichols, R. J., 17/01/2018, In: Journal of the American Chemical Society. 140, 2, p. 710-718 9 p.

    Research output: Contribution to Journal/Magazine › Journal article › peer-review

  29. Published

    Side-Group-Mediated Mechanical Conductance Switching in Molecular Junctions

    Ismael, A. K., Wang, K., Vezzoli, A., Al-Khaykanee, M. K., Gallagher, H. E., Grace, I. M., Lambert, C. J., Xu, B., Nichols, R. J. & Higgins, S. J., 27/11/2017, In: Angewandte Chemie International Edition. 56, 48, p. 15378-15382 5 p.

    Research output: Contribution to Journal/Magazine › Journal article › peer-review

  30. Published

    Electrochemical control of the single molecule conductance of a conjugated bis(pyrrolo)tetrathiafulvalene based molecular switch

    O'Driscoll, L. J., Hamill, J. M., Grace, I., Nielsen, B. W., Almutib, E., Fu, Y., Hong, W., Lambert, C. J. & Jeppesen, J. O., 1/09/2017, In: Chemical Science. 8, 9, p. 6123-6130 8 p.

    Research output: Contribution to Journal/Magazine › Journal article › peer-review

  31. Published

    Suppression of Phonon Transport in Molecular Christmas Trees

    Famili, M., Grace, I., Sadeghi, H. & Lambert, C. J., 19/05/2017, In: ChemPhysChem. 18, 10, p. 1234-1241 8 p.

    Research output: Contribution to Journal/Magazine › Journal article › peer-review

  32. Published

    Connectivity dependence of Fano resonances in single molecules

    Ismael, A., Grace, I. M. & Lambert, C. J., 7/03/2017, In: Physical Chemistry Chemical Physics. 19, 9, p. 6416-6421 6 p.

    Research output: Contribution to Journal/Magazine › Journal article › peer-review

  33. Published

    Soft versus hard junction formation for alpha-terthiophene molecular wires and their charge transfer complexes

    Vezzoli, A., Grace, I. M., Brooke, C., Nichols, R. J., Lambert, C. J. & Higgins, S. J., 7/03/2017, In: Journal of Chemical Physics. 146, 9, 9 p., 092307.

    Research output: Contribution to Journal/Magazine › Journal article › peer-review

  34. Published

    Discriminating single-molecule sensing by crown-ether-based molecular junctions

    Ismael, A. K., Al-Jobory, A., Grace, I. & Lambert, C. J., 14/02/2017, In: Journal of Chemical Physics. 146, 6, 5 p., 064704.

    Research output: Contribution to Journal/Magazine › Journal article › peer-review

  35. Published

    The single-molecule electrical conductance of a rotaxane-hexayne supramolecular assembly

    Milan, D. C., Krempe, M., Ismael, A. K., Movsisyan, L. D., Franz, M., Grace, I., Brooke, R. J., Schwarzacher, W., Higgins, S. J., Anderson, H. L., Lambert, C. J., Tykwinski, R. R. & Nichols, R. J., 7/01/2017, In: Nanoscale. 9, 1, p. 355-361 7 p.

    Research output: Contribution to Journal/Magazine › Journal article › peer-review

  36. Published

    Tuning the electrical conductance of metalloporphyrin supramolecular wires

    Noori, M., Aragonès, A., Di Palma, G., Darwish, N., Bailey, S. W. D., Al-Galiby, Q., Grace, I. M., Amabilino, D. B., Gonzalez-Campo, A., Díez-Pérez, I. & Lambert, C. J., 21/11/2016, In: Scientific Reports. 6, 37352, 7 p., 37352.

    Research output: Contribution to Journal/Magazine › Journal article › peer-review

  37. Published

    Charge transport through dicarboxylic-acid-terminated alkanes bound to graphene-gold nanogap electrodes

    Liu, L., Zhang, G., Tao, S., Zhao, C. Z., Almutib, E., Al-Galiby, Q., Bailey, S. W. D., Grace, I. M., Lambert, C. J., Du, J. & Yang, L., 14/08/2016, In: Nanoscale. 8, 30, p. 14507-14513 7 p.

    Research output: Contribution to Journal/Magazine › Journal article › peer-review

  38. Published

    Molecular design and control of fullerene-based bi-thermoelectric materials

    Rincón-García, L., Ismael, A., Evangeli, C., Grace, I. M., Rubio-Bollinger, G., Porfyrakis, K., Agrait, N. & Lambert, C. J., 03/2016, In: Nature Materials. 15, 3, p. 289-293 5 p.

    Research output: Contribution to Journal/Magazine › Journal article › peer-review

  39. Published

    Tuning the thermoelectric properties of metallo-porphyrins

    Al-Galiby, Q., Sadeghi, H., Algharagholy, L., Grace, I. M. & Lambert, C. J., 28/01/2016, In: Nanoscale. 2016, 4, p. 2428-2433 6 p.

    Research output: Contribution to Journal/Magazine › Journal article › peer-review

  40. Published

    Gating of single molecule junction conductance by charge transfer complex formation

    Vezzoli, A., Grace, I., Brooke, C., Wang, K., Lambert, C. J., Xu, B., Nichols, R. J. & Higgins, S. J., 7/12/2015, In: Nanoscale. 7, 45, p. 18949-18955 7 p.

    Research output: Contribution to Journal/Magazine › Journal article › peer-review

  41. Published

    Increasing the thermopower of crown-ether-bridged anthraquinones

    Ismael, A. K., Grace, I. & Lambert, C. J., 7/11/2015, In: Nanoscale. 7, 41, p. 17338-17342 5 p.

    Research output: Contribution to Journal/Magazine › Journal article › peer-review

  42. Published

    Exploiting the extended π-system of perylene bisimide for label-free single-molecule sensing

    Al-Galiby, Q., Grace, I., Sadeghi, H. & Lambert, C. J., 7/03/2015, In: Journal of Materials Chemistry C. 3, 9, p. 2101-2106 6 p.

    Research output: Contribution to Journal/Magazine › Journal article › peer-review

  43. Published

    GOLLUM: a next-generation simulation tool for electron, thermal and spin transport

    Ferrer, J., Lambert, C., Garcia-Suarez, V. M., Manrique, D. Z., Visontai, D., Oroszlany, L., Rodriguez-Ferradas, R., Grace, I., Bailey, S. W. D., Gillemot, K., Sadeghi, H. & Algharagholy, L. A., 23/09/2014, In: New Journal of Physics. 16, 9, 66 p., 093029.

    Research output: Contribution to Journal/Magazine › Journal article › peer-review

  44. Published

    Extended conjugation in poly(triarylamine)s: synthesis, structure and impact on field-effect mobility

    Sprick, R. S., Hoyos, M., Wrackmeyer, M. S., Parry, A. V. S., Grace, I. M., Lambert, C., Navarro, O. & Turner, M. L., 28/08/2014, In: Journal of Materials Chemistry C. 2, 32, p. 6520-6528 9 p.

    Research output: Contribution to Journal/Magazine › Journal article › peer-review

  45. Published

    Thermoelectric performance of various benzo-difuran wires

    Peterfalvi, C. G., Grace, I., Manrique, D. Z. & Lambert, C. J., 7/05/2014, In: Journal of Chemical Physics. 140, 17, 7 p., 174711.

    Research output: Contribution to Journal/Magazine › Journal article › peer-review

  46. Published

    A Sm(II)-mediated cascade approach to Dibenzoindolo[3,2-b]carbazoles: synthesis and evaluation

    Levick, M. T., Grace, I., Dai, S-Y., Kasch, N., Muryn, C., Lambert, C., Turner, M. L. & Procter, D. J., 18/04/2014, In: Organic Letters. 16, 8, p. 2292-2295 4 p.

    Research output: Contribution to Journal/Magazine › Journal article › peer-review

  47. Published

    A detailed experimental and theoretical study into the properties of C60 dumbbell junctions

    Gillemot, K., Evangeli, C., Leary, E., La Rosa, A., Gonzalez, M. T., Filippone, S., Grace, I., Rubio-Bollinger, G., Ferrer, J., Martin, N., Lambert, C. & Agrait, N., 25/11/2013, In: Small. 9, 22, p. 3812-3822 11 p.

    Research output: Contribution to Journal/Magazine › Journal article › peer-review

  48. Published

    Triarylamine polymers of bridged phenylenes by (N-heterocyclic carbene)-palladium catalysed C-N coupling

    Sprick, R. S., Hoyos, M., Morrison, J. J., Grace, I. M., Lambert, C., Navarro, O. & Turner, M. L., 2013, In: Journal of Materials Chemistry C. 1, 20, p. 3327-3336 10 p.

    Research output: Contribution to Journal/Magazine › Journal article › peer-review

  49. Published

    Phase tag-assisted synthesis of Benzo[b]carbazole end-capped oligothiophenes

    Levick, M. T., Coote, S., Grace, I., Lambert, C., Turner, M. L. & Procter, D. J., 16/11/2012, In: Organic Letters. 14, 22, p. 5744-5747 4 p.

    Research output: Contribution to Journal/Magazine › Journal article › peer-review

  50. Published

    Synthesis of Covalently Linked Molecular Bridges between Silicon Electrodes in CMOS-Based Arrays of Vertical Si/SiO2/Si Nanogaps

    Ashwell, G., Phillips, L. J., Robinson, B. J., Barnes, S. A., Williams, A. T., Urasinska-Wojcik, B., Lambert, C. J., Grace, I. M., Cox, T. I. & Sage, I. C., 5/09/2011, In: Angewandte Chemie International Edition. 50, 37, p. 8722-8726 5 p.

    Research output: Contribution to Journal/Magazine › Journal article › peer-review

  51. Published

    Molecular Bridging of Silicon Nanogaps

    Ashwell, G., Phillips, L. J., Robinson, B. J., Urasinska-Wojcik, B., Lambert, C. J., Grace, I. M., Bryce, M. R., Jitchati, R., Tavasli, M., Cox, T. I., Sage, I. C., Tuffin, R. P. & Ray, S., 12/2010, In: ACS Nano. 4, 12, p. 7401-7406 6 p.

    Research output: Contribution to Journal/Magazine › Journal article › peer-review

  52. Published

    Electron transport through ribbonlike molecular wires calculated using density-functional theory and Green's function formalism

    Visontai, D., Grace, I. & Lambert, C., 8/01/2010, In: Physical review B. 81, 3, 5 p., 035409.

    Research output: Contribution to Journal/Magazine › Journal article › peer-review

  53. Published

    Identifying Diversity in Nanoscale Electrical Break Junctions

    Martín, S., Grace, I., Bryce, M. R., Wang, C., Jitchat, R., Batsanov, A. S., Higgins, S. J., Lambert, C. & Nichols, R. J., 2010, In: Journal of the American Chemical Society. 132 , 26, p. 9157–9164 8 p.

    Research output: Contribution to Journal/Magazine › Journal article › peer-review

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