Theory of single-molecule electron, proton, and proton-coupled electron transfer processes in homogeneous solution and at electrochemical surfaces
J. Zhang, A.M. Kuznetsov, I.G. Medvedev, Q. Chi, T. Albrecht, P. S. Jensen and J. Ulstrup, “Single-molecule Electron Transfer in Electrochemical Environments”, Chem. Rev. 108 (2008) 2737-2791.
Z. Wang, J.L. Palma, H. Wang, J. Liu, G. Zhou, M. R. Ajayakumar, X. Feng, W. Wang, J. Ulstrup, A.A. Kornyshev, Y. Li, N. Tao, “Electrochemically Controlled Rectification in Symmetric Single-molecule Junctions”, PNAS USA 119 (2022). Art. No. e2122183119.
H.G. Bohr, I. Shim, J. Ulstrup, X. Xiao, “Protein Quakes in Redox Metalloenzymes: Clues to Molecular Enzyme Conductivity Triggered by Binding of Small Substrate Molecules”, Chemistry Open 13, issue 12 (2024) e2024001902024.
X. Wang, D. Yang, J. Diao, J. Ulstrup, C. Zhang, F. Auras, Q. Fu, J. Yang, L. Cui, Y. Li, J. Li,”Probing ultra-strong through-space electronic coupling in donor-acceptor systems at the single-molecule level”, Adv. Sci. 13 (2026) e21871.
Y. Zhang, D. Zhang, L. Bi, M. Lei, B. Li, A.I. Kolesnikov, C. Park, J. AlHourani, D.-e. Jiang, S. Kondrat, J. Ulstrup, A.A. Kornyshev, Y. Gogotsi, “Mechanical suppression of proton-coupled electron transfer in MXene nanoconfinement”, Working Paper, ChemRiv (2026).
Electrochemistry and in operando STM/AFM of single-molecular scale entities
C. Engelbrekt, R.R. Nazmutdinov, S. Shermukhamedov, J. Ulstrup, T.T. Zinkicheva, X. Xiao, “Complex single-molecule and molecular scale entities in electrochemical environments: Mechanisms and challenges”, Electrochem. Sci. Adv. (2021) e2100157.
S. Shermukhamedov, R.R. Nazmutdinov, T.T. Zinkicheva, M.D. Bronshtein, J. Zhang, B. Mao, Z. Tian; J. Yan, D.-Y. Wu, J. Ulstrup, "Electronic Spillover from a Metallic Nanoparticle: Can Simple Electrochemical Electron Transfer processes be Catalyzed by Electronic Coupling of a Molecular Scale Gold Nanoparticle Simultaneously to the Redox Molecule and the Electrode?", J. Am. Chem. Soc. 142 (2020) 10646-10658.
R.R. Nazmutdinov, S.A. Shermukhamedov, T.T. Zinkicheva, J. Ulstrup, X. Xiao, “Understanding molecular and electrochemical charge transfer: Theory and computations”. A tutorial review, Chem. Soc. Rev. 52 (2023) 6230-6253.
Adsorbate-modified electrode surfaces in solution at single-molecule resolution
J.R. Reimers, M.J. Ford, S. Marcuccio, J. Ulstrup and N.S. Hush, “Competition of van der Waals and chemical forces on gold-sulfur surfaces and nanoparticles”, Nature Reviews Chemistry 1 (2017) 0017.
C. Engelbrekt, R.R. Nazmutdinov, T.T. Zinkicheva, D. Glukhov, J. Yan, B. Mao, J. Ulstrup, J. Zhang, “Chemistry of Cysteine Assembly on Au(100): Electrochemistry, in situ STM, and Molecular Modeling”. Nanoscale 11 (2019) 17235-17251.
Enzyme and microbial electrochemistry
Y. Xiao, E. Zhang, J. Zhang, Y. Dai, Z. Yang, H.E.M. Christensen, J. Ulstrup, F. Zhao, “Extracellular polymeric substances are transient media for microbial extracellular electron transfer - Roles of EPS in microbial EET”, Sci. Adv. 3 (2017) 7, 8 p., e1700623.
R. Wu, X. Tian, Y. Xiao, J. Ulstrup, H.E.M. Christensen, F. Zhao, J. Zhang, “Selective electrocatalysis of biofuel molecular oxidation by palladium nanoparticles generated on Shewanella oneidensis MR-1”, J. Mat. Chem. A 6 (2018) 11655-11662.
X. Yan, S. Ma, J. Tang, D. Tanner, J. Ulstrup, X. Xiao, J. Zhang, “Direct Electron Transfer of Fructose Dehydrogenase Immobilized on Thiol-Gold Electrodes”, Electrochim. Acta 392 (2021) Art. No. 138946.
X. Xiao, J. Ulstrup, “Towards continuous enzymatic biosensors”, Curr. Opin. Electrochem. (2024) Art. No. 101549.
W. Chen, B. Zhao, L. Dai, J. Li, R. Bai, F. Yang, X. Zhou, J. Ulstrup, F. Zhao, Y. Xiao, “Aerobic extracellular electron transfer in Shewanella spp”, Bioresource Technol. (2026), Art. No. 134694.