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Manuel Smeu, Ph.D. - Publications

Affiliations: 
2012 Department of Physics McGill University, Montreal, QC, Canada 
Area:
Condensed Matter Physics, Quantum Physics
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32 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2024 Batzinger K, Zhou Q, Ye X, Borguet E, Xiao S, Smeu M. Steric effects on single-molecule conductance in flat-lying phenanthrene. Chemistry (Weinheim An Der Bergstrasse, Germany). e202400422. PMID 38629897 DOI: 10.1002/chem.202400422  0.308
2024 Batzinger K, Liepinya D, Smeu M. A computational study of electron transport in dynamic tetrahydrofuran and ethylene carbonate solvents on a Ca metal anode. Physical Chemistry Chemical Physics : Pccp. 26: 5218-5225. PMID 38261375 DOI: 10.1039/d3cp04113a  0.307
2023 Yasini P, Shepard S, Smeu M, Borguet E. Modulation of Charge Transport through Single Molecules Induced by Solvent-Stabilized Intramolecular Charge Transfer. The Journal of Physical Chemistry. B. PMID 37933172 DOI: 10.1021/acs.jpcb.3c03576  0.325
2021 Ivie JA, Bamberger ND, Parida KN, Shepard S, Dyer D, Saraiva-Souza A, Himmelhuber R, McGrath DV, Smeu M, Monti OLA. Correlated Energy-Level Alignment Effects Determine Substituent-Tuned Single-Molecule Conductance. Acs Applied Materials & Interfaces. PMID 33438990 DOI: 10.1021/acsami.0c19404  0.307
2020 Woodcox M, Young J, Smeu M. Ab initio investigation of the temperature-dependent elastic properties of Bi, Te and Cu. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 32: 485902. PMID 32903220 DOI: 10.1088/1361-648X/Ababdf  0.312
2020 Saraiva-Souza A, Smeu M, Guo H. Reassessing destructive quantum interference in azulene-based devices. Physical Chemistry Chemical Physics : Pccp. PMID 32002522 DOI: 10.1039/C9Cp06159B  0.562
2020 Shepard R, Smeu M. Ab initio investigation of α- and ζ-V2O5 for beyond lithium ion battery cathodes Journal of Power Sources. 472: 228096. DOI: 10.1016/J.Jpowsour.2020.228096  0.329
2019 Li M, Smeu M. Atomistic simulation of the structural and conductance evolution of Au break junctions Computational Materials Science. 164: 147-152. DOI: 10.1016/J.Commatsci.2019.04.013  0.372
2018 Young J, Smeu M. Ethylene Carbonate-Based Electrolyte Decomposition and Solid-Electrolyte Interphase Formation on Ca Metal Anodes. The Journal of Physical Chemistry Letters. PMID 29856630 DOI: 10.1021/Acs.Jpclett.8B01261  0.308
2018 Saraiva-Souza A, Smeu M, Filho JGdS, Girão EC, Guo H. Spin-Negative Differential Resistance in Zigzag Graphene Nanoribbons with Side-Attached Porphine Molecule Journal of Physical Chemistry C. 122: 15911-15921. DOI: 10.1021/Acs.Jpcc.8B04633  0.5
2018 Juran TR, Young J, Smeu M. Density Functional Theory Modeling of MnO2 Polymorphs as Cathodes for Multivalent Ion Batteries Journal of Physical Chemistry C. 122: 8788-8795. DOI: 10.1021/Acs.Jpcc.8B00918  0.303
2017 Juran TR, Smeu M. Hybrid density functional theory modeling of Ca, Zn, and Al ion batteries using the Chevrel phase Mo6S8 cathode. Physical Chemistry Chemical Physics : Pccp. PMID 28737809 DOI: 10.1039/C7Cp03378H  0.363
2017 Saraiva-Souza A, Smeu M, Filho JGdS, Girão EC, Guo H. Tuning the electronic and quantum transport properties of nitrogenated holey graphene nanoribbons Journal of Materials Chemistry C. 5: 11856-11866. DOI: 10.1039/C7Tc03424E  0.541
2016 Saraiva-Souza A, Smeu M, Zhang L, Ratner MA, Guo H. Two-Dimensional γ-Graphyne Suspended on Si(111): A Hybrid Device Journal of Physical Chemistry C. 120: 4605-4611. DOI: 10.1021/Acs.Jpcc.5B11235  0.61
2016 Smeu M, Hossain MS, Wang Z, Timoshevskii V, Bevan KH, Zaghib K. Theoretical investigation of Chevrel phase materials for cathodes accommodating Ca2+ ions Journal of Power Sources. 306: 431-436. DOI: 10.1016/J.Jpowsour.2015.12.009  0.305
2015 Li Z, Smeu M, Rives A, Maraval V, Chauvin R, Ratner MA, Borguet E. Towards graphyne molecular electronics. Nature Communications. 6: 6321. PMID 25699991 DOI: 10.1038/Ncomms7321  0.559
2014 Saraiva-Souza A, Smeu M, Zhang L, Souza Filho AG, Guo H, Ratner MA. Molecular spintronics: destructive quantum interference controlled by a gate. Journal of the American Chemical Society. 136: 15065-71. PMID 25264567 DOI: 10.1021/Ja508537N  0.579
2014 Li Z, Smeu M, Park TH, Rawson J, Xing Y, Therien MJ, Ratner MA, Borguet E. Hapticity-dependent charge transport through carbodithioate-terminated [5,15-bis(phenylethynyl)porphinato]zinc(II) complexes in metal-molecule-metal junctions. Nano Letters. 14: 5493-9. PMID 25255444 DOI: 10.1021/Nl502466A  0.553
2014 Parker SM, Smeu M, Franco I, Ratner MA, Seideman T. Molecular junctions: can pulling influence optical controllability? Nano Letters. 14: 4587-91. PMID 25072807 DOI: 10.1021/Nl501629C  0.684
2014 Martins BV, Smeu M, Livadaru L, Guo H, Wolkow RA. Conductivity of Si(111)-(7×7): the role of a single atomic step. Physical Review Letters. 112: 246802. PMID 24996100 DOI: 10.1103/Physrevlett.112.246802  0.626
2014 Chen CJ, Smeu M, Ratner MA. Modeling ion sensing in molecular electronics. The Journal of Chemical Physics. 140: 054709. PMID 24511970 DOI: 10.1063/1.4863860  0.549
2014 Li Z, Smeu M, Afsari S, Xing Y, Ratner MA, Borguet E. Single-molecule sensing of environmental pH--an STM break junction and NEGF-DFT approach. Angewandte Chemie (International Ed. in English). 53: 1098-102. PMID 24339362 DOI: 10.1002/Anie.201308398  0.48
2014 Chen CJ, Smeu M, Ratner MA. Modeling ion sensing in molecular electronics Journal of Chemical Physics. 140. DOI: 10.1063/1.4863860  0.385
2014 Saraiva-Souza A, Smeu M, Zhang L, Souza Filho AG, Guo H, Ratner MA. Molecular spintronics: Destructive quantum interference controlled by a gate Journal of the American Chemical Society. 136: 15065-15071. DOI: 10.1021/ja508537n  0.376
2013 Saraiva-Souza A, Smeu M, Terrones H, Souza Filho AG, Ratner MA. Spin transport of polyacetylene chains bridging zigzag graphene nanoribbon electrodes: A nonequilibrium treatment of structural control and spin filtering Journal of Physical Chemistry C. 117: 21178-21185. DOI: 10.1021/Jp4091443  0.517
2013 Li Z, Smeu M, Ratner MA, Borguet E. Effect of anchoring groups on single molecule charge transport through porphyrins Journal of Physical Chemistry C. 117: 14890-14898. DOI: 10.1021/Jp309871D  0.5
2012 Smeu M, Guo H, Ji W, Wolkow RA. Electronic properties of Si(111)-7×7 and related reconstructions: Density functional theory calculations Physical Review B - Condensed Matter and Materials Physics. 85. DOI: 10.1103/Physrevb.85.195315  0.628
2012 Smeu M, Wolkow RA, Guo H. Conduction modulation of π-stacked ethylbenzene wires on Si(100) with substituent groups Theoretical Chemistry Accounts. 131: 1-8. DOI: 10.1007/S00214-011-1085-7  0.698
2011 Smeu M, Zahid F, Ji W, Guo H, Jaidann M, Abou-Rachid H. Energetic molecules encapsulated inside carbon nanotubes and between graphene layers: DFT calculations Journal of Physical Chemistry C. 115: 10985-10989. DOI: 10.1021/Jp201756P  0.464
2010 Smeu M, Dilabio GA. Calculations of electron transport through simple π-and σ-type radicals Journal of Physical Chemistry C. 114: 17874-17879. DOI: 10.1021/Jp105589Y  0.448
2009 Smeu M, Wolkow RA, Guo H. Conduction pathway of pi-stacked ethylbenzene molecular wires on Si(100). Journal of the American Chemical Society. 131: 11019-26. PMID 19603787 DOI: 10.1021/Ja902641M  0.677
2008 Smeu M, Wolkow RA, DiLabio GA. Theoretical investigation of electron transport modulation through benzenedithiol by substituent groups. The Journal of Chemical Physics. 129: 034707. PMID 18647038 DOI: 10.1063/1.2955463  0.598
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