| Year |
Citation |
Score |
| 2022 |
Vong D, Nematiaram T, Dettmann MA, Murrey TL, Cavalcante LSR, Gurses SM, Radhakrishnan D, Daemen LL, Anthony JE, Koski KJ, Kronawitter CX, Troisi A, Moulé AJ. Quantitative Hole Mobility Simulation and Validation in Substituted Acenes. The Journal of Physical Chemistry Letters. 5530-5537. PMID 35695809 DOI: 10.1021/acs.jpclett.2c00898 |
0.754 |
|
| 2022 |
Nematiaram T, Troisi A. Feasibility of p-Doped Molecular Crystals as Transparent Conductive Electrodes via Virtual Screening. Chemistry of Materials : a Publication of the American Chemical Society. 34: 4050-4061. PMID 35573107 DOI: 10.1021/acs.chemmater.2c00281 |
0.784 |
|
| 2022 |
Omar ÖH, Nematiaram T, Troisi A, Padula D. Organic materials repurposing, a data set for theoretical predictions of new applications for existing compounds. Scientific Data. 9: 54. PMID 35165288 DOI: 10.1038/s41597-022-01142-7 |
0.768 |
|
| 2021 |
Xie X, Troisi A. Evaluating the Electronic Structure of Coexisting Excitonic and Multiexcitonic States in Periodic Systems: Significance for Singlet Fission. Journal of Chemical Theory and Computation. PMID 34902251 DOI: 10.1021/acs.jctc.1c00831 |
0.3 |
|
| 2021 |
Omar ÖH, Del Cueto M, Nematiaram T, Troisi A. High-throughput virtual screening for organic electronics: a comparative study of alternative strategies. Journal of Materials Chemistry. C. 9: 13557-13583. PMID 34745630 DOI: 10.1039/d1tc03256a |
0.752 |
|
| 2021 |
Nematiaram T, Padula D, Troisi A. Bright Frenkel Excitons in Molecular Crystals: A Survey. Chemistry of Materials : a Publication of the American Chemical Society. 33: 3368-3378. PMID 34526736 DOI: 10.1021/acs.chemmater.1c00645 |
0.772 |
|
| 2021 |
Zhao K, Omar ÖH, Nematiaram T, Padula D, Troisi A. Novel thermally activated delayed fluorescence materials by high-throughput virtual screening: going beyond donor–acceptor design Journal of Materials Chemistry C. 9: 3324-3333. DOI: 10.1039/D1TC00002K |
0.763 |
|
| 2021 |
Nematiaram T, Padula D, Troisi A. Bright Frenkel Excitons in Molecular Crystals: A Survey Chemistry of Materials. 33: 3368-3378. DOI: 10.1021/ACS.CHEMMATER.1C00645 |
0.74 |
|
| 2020 |
Nematiaram T, Troisi A. Modeling charge transport in high-mobility molecular semiconductors: Balancing electronic structure and quantum dynamics methods with the help of experiments. The Journal of Chemical Physics. 152: 190902. PMID 33687243 DOI: 10.1063/5.0008357 |
0.8 |
|
| 2020 |
Elliott JD, Troisi A, Carbone P. A QM/MD coupling method to model the ion-induced polarization of graphene. Journal of Chemical Theory and Computation. PMID 32644791 DOI: 10.1021/Acs.Jctc.0C00239 |
0.402 |
|
| 2020 |
Dantanarayana V, Nematiaram T, Vong D, Anthony JE, Troisi A, Nguyen-Cong K, Goldman N, Faller R, Moulé AJ. Predictive model of charge carrier mobilities in organic semiconductor small molecules with force-matched potentials. Journal of Chemical Theory and Computation. PMID 32401495 DOI: 10.1021/Acs.Jctc.0C00211 |
0.802 |
|
| 2020 |
Matta M, Pezzella A, Troisi A. Relation between Local Structure, Electric Dipole, and Charge Carrier Dynamics in DHICA Melanin: A Model for Biocompatible Semiconductors. The Journal of Physical Chemistry Letters. 1045-1051. PMID 31967830 DOI: 10.1021/Acs.Jpclett.9B03696 |
0.444 |
|
| 2020 |
Nematiaram T, Troisi A. Strategies to reduce the dynamic disorder in molecular semiconductors Materials Horizons. DOI: 10.1039/D0Mh01159B |
0.782 |
|
| 2020 |
Zhao Z, Troisi A, Geng Y, Wang X, Su Z. Exploring Charge Dissociation in a Statistical Sample of Active Layer Models of Organic Solar Cell Journal of Physical Chemistry C. 124: 18840-18846. DOI: 10.1021/Acs.Jpcc.0C06623 |
0.35 |
|
| 2020 |
Nematiaram T, Padula D, Landi A, Troisi A. On the Largest Possible Mobility of Molecular Semiconductors and How to Achieve It Advanced Functional Materials. 30: 2001906. DOI: 10.1002/Adfm.202001906 |
0.774 |
|
| 2019 |
Zhao H, Zhao Y, Song Y, Zhou M, Lv W, Tao L, Feng Y, Song B, Ma Y, Zhang J, Xiao J, Wang Y, Lien DH, Amani M, Kim H, ... ... Troisi A, et al. Strong optical response and light emission from a monolayer molecular crystal. Nature Communications. 10: 5589. PMID 31811122 DOI: 10.1038/S41467-019-13581-9 |
0.358 |
|
| 2019 |
Claridge K, Padula D, Troisi A. On the arrangement of chromophores in light harvesting complexes: chance versus design. Faraday Discussions. PMID 31544201 DOI: 10.1039/C9Fd00045C |
0.31 |
|
| 2019 |
Xie X, Santana-Bonilla A, Fang W, Liu C, Troisi A, Ma H. An exciton-phonon interaction model for singlet fission in prototypical molecular crystals. Journal of Chemical Theory and Computation. PMID 30970207 DOI: 10.1021/Acs.Jctc.9B00122 |
0.402 |
|
| 2019 |
Claridge K, Troisi A. Developing Consistent Molecular Dynamics Force Fields for Biological Chromophores via Force Matching. The Journal of Physical Chemistry. B. 123: 428-438. PMID 30565460 DOI: 10.1021/Acs.Jpcb.8B10746 |
0.356 |
|
| 2019 |
Landi A, Troisi A, Peluso A. Explaining different experimental hole mobilities: influence of polymorphism on dynamic disorder in pentacene Journal of Materials Chemistry C. 7: 9665-9670. DOI: 10.1039/C9Tc03174J |
0.387 |
|
| 2019 |
Padula D, Omar ÖH, Nematiaram T, Troisi A. Singlet fission molecules among known compounds: finding a few needles in a haystack Energy and Environmental Science. 12: 2412-2416. DOI: 10.1039/C9Ee01508F |
0.775 |
|
| 2019 |
Padula D, Simpson JD, Troisi A. Combining electronic and structural features in machine learning models to predict organic solar cells properties Materials Horizons. 6: 343-349. DOI: 10.1039/C8Mh01135D |
0.36 |
|
| 2019 |
Harrelson TF, Dantanarayana V, Xie X, Koshnick C, Nai D, Fair R, Nuñez SA, Thomas AK, Murrey TL, Hickner MA, Grey JK, Anthony JE, Gomez ED, Troisi A, Faller R, et al. Direct probe of the nuclear modes limiting charge mobility in molecular semiconductors Materials Horizons. 6: 182-191. DOI: 10.1039/C8Mh01069B |
0.398 |
|
| 2019 |
Nematiaram T, Ciuchi S, Xie X, Fratini S, Troisi A. Practical Computation of the Charge Mobility in Molecular Semiconductors Using Transient Localization Theory Journal of Physical Chemistry C. 123: 6989-6997. DOI: 10.1021/Acs.Jpcc.8B11916 |
0.779 |
|
| 2018 |
Warr DA, Perdigão LMA, Pinfold H, Blohm J, Stringer D, Leventis A, Bronstein H, Troisi A, Costantini G. Sequencing conjugated polymers by eye. Science Advances. 4: eaas9543. PMID 29922716 DOI: 10.1126/Sciadv.Aas9543 |
0.355 |
|
| 2018 |
Claridge K, Padula D, Troisi A. How fine-tuned for energy transfer is the environmental noise produced by proteins around biological chromophores? Physical Chemistry Chemical Physics : Pccp. 20: 17279-17288. PMID 29901681 DOI: 10.1039/C8Cp02613K |
0.349 |
|
| 2018 |
Xie X, Santana-Bonilla A, Troisi A. Nonlocal electron-phonon coupling in prototypical molecular semiconductors from first principles. Journal of Chemical Theory and Computation. PMID 29851487 DOI: 10.1021/Acs.Jctc.8B00235 |
0.381 |
|
| 2018 |
Li P, Zhang H, Troisi A. Systematic Study of the Effect of Auxiliary Acceptors in D–A′−π–A Sensitizers Used on Dye-Sensitized Solar Cells Journal of Physical Chemistry C. 122: 23890-23898. DOI: 10.1021/Acs.Jpcc.8B07122 |
0.39 |
|
| 2018 |
White TW, Martsinovich N, Troisi A, Costantini G. Quantifying the 'Subtle Interplay' between Intermolecular and Molecule-Substrate Interactions in Molecular Assembly on Surfaces Journal of Physical Chemistry C. 122: 17954-17962. DOI: 10.1021/Acs.Jpcc.8B06797 |
0.326 |
|
| 2018 |
Landi A, Troisi A. Rapid Evaluation of Dynamic Electronic Disorder in Molecular Semiconductors Journal of Physical Chemistry C. 122: 18336-18345. DOI: 10.1021/Acs.Jpcc.8B05511 |
0.446 |
|
| 2018 |
Sahu H, Rao W, Troisi A, Ma H. Toward Predicting Efficiency of Organic Solar Cells via Machine Learning and Improved Descriptors Advanced Energy Materials. 8: 1801032. DOI: 10.1002/Aenm.201801032 |
0.409 |
|
| 2017 |
Padula D, Lee MH, Claridge K, Troisi A. Chromophore-dependent Intramolecular Exciton-Vibrational Coupling in the FMO Complex: Quantification and Importance for Exciton Dynamics. The Journal of Physical Chemistry. B. PMID 28990788 DOI: 10.1021/Acs.Jpcb.7B08020 |
0.351 |
|
| 2017 |
Geng Y, Lee MH, Troisi A. Effect of Infrared Pulse Excitation on the Bound Charge Transfer State of Photovoltaic Interfaces. The Journal of Physical Chemistry Letters. PMID 28927273 DOI: 10.1021/Acs.Jpclett.7B02088 |
0.374 |
|
| 2017 |
Fratini S, Ciuchi S, Mayou D, Laissardière GTd, Troisi A. A map of high-mobility molecular semiconductors. Nature Materials. 16: 998-1002. PMID 28892051 DOI: 10.1038/Nmat4970 |
0.37 |
|
| 2017 |
Pirrotta A, Solomon GC, Franco I, Troisi A. Excitonic Coupling Modulated by Mechanical Stimuli. The Journal of Physical Chemistry Letters. 8: 4326-4332. PMID 28837767 DOI: 10.1021/Acs.Jpclett.7B01828 |
0.37 |
|
| 2017 |
Fornari RP, Rowe P, Padula D, Troisi A. Importance and Nature of Short-Range Excitonic Interactions in Light Harvesting Complexes and Organic Semiconductors. Journal of Chemical Theory and Computation. 13: 3754-3763. PMID 28651054 DOI: 10.1021/Acs.Jctc.7B00328 |
0.376 |
|
| 2017 |
Knee GC, Rowe P, Smith LD, Troisi A, Datta A. Structure-Dynamics Relation in Physically-Plausible Multi-Chromophore Systems. The Journal of Physical Chemistry Letters. PMID 28475337 DOI: 10.1021/Acs.Jpclett.7B00829 |
0.365 |
|
| 2017 |
Fornari RP, Blom PW, Troisi A. How Many Parameters Actually Affect the Mobility of Conjugated Polymers? Physical Review Letters. 118: 086601. PMID 28282204 DOI: 10.1103/Physrevlett.118.086601 |
0.436 |
|
| 2017 |
Lee MH, Troisi A. Vibronic enhancement of excitation energy transport: Interplay between local and non-local exciton-phonon interactions. The Journal of Chemical Physics. 146: 075101. PMID 28228034 DOI: 10.1063/1.4976558 |
0.34 |
|
| 2017 |
Kuzmich A, Padula D, Ma H, Troisi A. Trends in the electronic and geometric structure of non-fullerene based acceptors for organic solar cells Energy and Environmental Science. 10: 395-401. DOI: 10.1039/C6Ee03654F |
0.383 |
|
| 2017 |
Ren X, Bruzek MJ, Hanifi DA, Schulzetenberg A, Wu Y, Kim C, Zhang Z, Johns JE, Salleo A, Fratini S, Troisi A, Douglas CJ, Frisbie CD. Negative Isotope Effect on Field-Effect Hole Transport in Fully Substituted 13
C-Rubrene Advanced Electronic Materials. 3: 1700018. DOI: 10.1002/Aelm.201700018 |
0.397 |
|
| 2016 |
Lee MH, Troisi A. Quantum dynamics of a vibronically coupled linear chain using a surrogate Hamiltonian approach. The Journal of Chemical Physics. 144: 214106. PMID 27276944 DOI: 10.1063/1.4953043 |
0.392 |
|
| 2016 |
Illig S, Eggeman AS, Troisi A, Jiang L, Warwick C, Nikolka M, Schweicher G, Yeates SG, Henri Geerts Y, Anthony JE, Sirringhaus H. Reducing dynamic disorder in small-molecule organic semiconductors by suppressing large-amplitude thermal motions. Nature Communications. 7: 10736. PMID 26898754 DOI: 10.1038/Ncomms10736 |
0.402 |
|
| 2016 |
Maggio E, Martsinovich N, Troisi A. Continuum and atomistic description of excess electrons in TiO2. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 28: 074004. PMID 26808551 DOI: 10.1088/0953-8984/28/7/074004 |
0.397 |
|
| 2016 |
Blülle B, Troisi A, Häusermann R, Batlogg B. Charge transport perpendicular to the high mobility plane in organic crystals: Bandlike temperature dependence maintained despite hundredfold anisotropy Physical Review B. 93: 35205. DOI: 10.1103/Physrevb.93.035205 |
0.363 |
|
| 2016 |
Fornari RP, Aragó J, Troisi A. Exciton Dynamics in Phthalocyanine Molecular Crystals Journal of Physical Chemistry C. 120: 7987-7996. DOI: 10.1021/Acs.Jpcc.6B01298 |
0.453 |
|
| 2016 |
Aragó J, Troisi A. Regimes of Exciton Transport in Molecular Crystals in the Presence of Dynamic Disorder Advanced Functional Materials. 26: 2316-2325. DOI: 10.1002/Adfm.201503888 |
0.372 |
|
| 2015 |
Do H, Troisi A. Developing accurate molecular mechanics force fields for conjugated molecular systems. Physical Chemistry Chemical Physics : Pccp. 17: 25123-32. PMID 26349916 DOI: 10.1039/C5Cp04328J |
0.378 |
|
| 2015 |
Fornari RP, Aragó J, Troisi A. A very general rate expression for charge hopping in semiconducting polymers. The Journal of Chemical Physics. 142: 184105. PMID 25978881 DOI: 10.1063/1.4920945 |
0.323 |
|
| 2015 |
Aragó J, Troisi A. Excitonic couplings between molecular crystal pairs by a multistate approximation. The Journal of Chemical Physics. 142: 164107. PMID 25933752 DOI: 10.1063/1.4919241 |
0.402 |
|
| 2015 |
Aragó J, Troisi A. Dynamics of the excitonic coupling in organic crystals. Physical Review Letters. 114: 026402. PMID 25635554 DOI: 10.1103/Physrevlett.114.026402 |
0.412 |
|
| 2015 |
Troisi L, Citti C, Granito C, Perrone S, Ciccarese A, Bettini S, Giancane G, Troisi A. Synthesis of Alternative Electron Acceptor Compounds The Open Organic Chemistry Journal. 9: 9-15. DOI: 10.2174/1874095201509010009 |
0.33 |
|
| 2015 |
Lee MH, Aragó J, Troisi A. Charge Dynamics in Organic Photovoltaic Materials: Interplay between Quantum Diffusion and Quantum Relaxation Journal of Physical Chemistry C. 119: 14989-14998. DOI: 10.1021/Acs.Jpcc.5B03989 |
0.398 |
|
| 2014 |
Ma H, Qin T, Troisi A. Electronic Excited States in Amorphous MEH-PPV Polymers from Large-Scale First Principles Calculations. Journal of Chemical Theory and Computation. 10: 1272-82. PMID 26580196 DOI: 10.1021/Ct4010799 |
0.385 |
|
| 2014 |
Carbone P, Troisi A. Charge Diffusion in Semiconducting Polymers: Analytical Relation between Polymer Rigidity and Time Scales for Intrachain and Interchain Hopping. The Journal of Physical Chemistry Letters. 5: 2637-41. PMID 26277956 DOI: 10.1021/Jz501220G |
0.327 |
|
| 2014 |
Ambrosio F, Troisi A. Singlet fission in linear chains of molecules. The Journal of Chemical Physics. 141: 204703. PMID 25429953 DOI: 10.1063/1.4902135 |
0.408 |
|
| 2014 |
Fornari RP, Troisi A. Narrower bands with better charge transport: the counterintuitive behavior of semiconducting copolymers. Advanced Materials (Deerfield Beach, Fla.). 26: 7627-31. PMID 25327499 DOI: 10.1002/Adma.201402941 |
0.338 |
|
| 2014 |
Loi MA, Troisi A. Charge generation mechanism in organic solar cells. Physical Chemistry Chemical Physics : Pccp. 16: 20277-8. PMID 25184821 DOI: 10.1039/C4Cp90132K |
0.34 |
|
| 2014 |
Ip CM, Eleuteri A, Troisi A. Predicting with confidence the efficiency of new dyes in dye sensitized solar cells. Physical Chemistry Chemical Physics : Pccp. 16: 19106-10. PMID 25097038 DOI: 10.1039/C4Cp03124E |
0.313 |
|
| 2014 |
Ma H, Troisi A. Direct optical generation of long-range charge-transfer states in organic photovoltaics. Advanced Materials (Deerfield Beach, Fla.). 26: 6163-7. PMID 25044396 DOI: 10.1002/Adma.201402294 |
0.372 |
|
| 2014 |
Maggio E, Troisi A. An expression for the bridge-mediated electron transfer rate in dye-sensitized solar cells. Philosophical Transactions. Series a, Mathematical, Physical, and Engineering Sciences. 372: 20130011. PMID 24615149 DOI: 10.1098/Rsta.2013.0011 |
0.381 |
|
| 2014 |
Fornari RP, Troisi A. Theory of charge hopping along a disordered polymer chain. Physical Chemistry Chemical Physics : Pccp. 16: 9997-10007. PMID 24481319 DOI: 10.1039/C3Cp54661F |
0.401 |
|
| 2014 |
Maggio E, Solomon GC, Troisi A. Exploiting quantum interference in dye sensitized solar cells. Acs Nano. 8: 409-18. PMID 24283471 DOI: 10.1021/Nn4045886 |
0.415 |
|
| 2014 |
Maggio E, Solomon GC, Troisi A. Exploiting quantum interference in dye sensitized solar cells Acs Nano. 8: 409-418. DOI: 10.1021/nn4045886 |
0.302 |
|
| 2014 |
Ma H, Troisi A. Modulating the exciton dissociation rate by up to more than two orders of magnitude by controlling the alignment of LUMO + 1 in organic photovoltaics Journal of Physical Chemistry C. 118: 27272-27280. DOI: 10.1021/Jp5098102 |
0.329 |
|
| 2014 |
Liu T, Troisi A. Understanding the Microscopic Origin of the Very High Charge Mobility in PBTTT: Tolerance of Thermal Disorder Advanced Functional Materials. 24: 925-933. DOI: 10.1002/Adfm.201302069 |
0.433 |
|
| 2013 |
Troisi A. How quasi-free holes and electrons are generated in organic photovoltaic interfaces. Faraday Discussions. 163: 377-92; discussion 3. PMID 24020212 DOI: 10.1039/C3Fd20142B |
0.43 |
|
| 2013 |
Eggeman AS, Illig S, Troisi A, Sirringhaus H, Midgley PA. Measurement of molecular motion in organic semiconductors by thermal diffuse electron scattering. Nature Materials. 12: 1045-9. PMID 23892786 DOI: 10.1038/Nmat3710 |
0.39 |
|
| 2013 |
Qin T, Troisi A. Relation between structure and electronic properties of amorphous MEH-PPV polymers. Journal of the American Chemical Society. 135: 11247-56. PMID 23829780 DOI: 10.1021/Ja404385Y |
0.429 |
|
| 2013 |
Liu T, Troisi A. What makes fullerene acceptors special as electron acceptors in organic solar cells and how to replace them. Advanced Materials (Deerfield Beach, Fla.). 25: 1038-41. PMID 23192958 DOI: 10.1002/Adma.201203486 |
0.383 |
|
| 2013 |
Maggio E, Martsinovich N, Troisi A. Using orbital symmetry to minimize charge recombination in dye-sensitized solar cells. Angewandte Chemie (International Ed. in English). 52: 973-5. PMID 23192840 DOI: 10.1002/Anie.201205184 |
0.333 |
|
| 2013 |
Vázquez H, Troisi A. Calculation of rates of exciton dissociation into hot charge-transfer states in model organic photovoltaic interfaces Physical Review B. 88: 205304. DOI: 10.1103/Physrevb.88.205304 |
0.4 |
|
| 2013 |
Maggio E, Troisi A. Theory of the Charge Recombination Reaction at the Semiconductor–Adsorbate Interface in the Presence of Defects Journal of Physical Chemistry C. 117: 24196-24205. DOI: 10.1021/Jp4080515 |
0.361 |
|
| 2013 |
Carvalho A, Martsinovich N, Vieira R, Troisi A. Charge injection rates in hybrid nanosilicon–polythiophene bulk heterojunction solar cells Journal of Physical Chemistry C. 117: 110-115. DOI: 10.1021/Jp3095825 |
0.349 |
|
| 2013 |
Qin T, Troisi A. Relation between structure and electronic properties of amorphous MEH-PPV polymers Journal of the American Chemical Society. 135: 11247-11256. DOI: 10.1021/ja404385y |
0.317 |
|
| 2012 |
Ambrosio F, Martsinovich N, Troisi A. What Is the Best Anchoring Group for a Dye in a Dye-Sensitized Solar Cell? The Journal of Physical Chemistry Letters. 3: 1531-5. PMID 26285633 DOI: 10.1021/Jz300520P |
0.324 |
|
| 2012 |
Maggio E, Martsinovich N, Troisi A. Theoretical study of charge recombination at the TiO2-electrolyte interface in dye sensitised solar cells. Journal of Chemical Physics. 137. PMID 23249045 DOI: 10.1063/1.4737101 |
0.412 |
|
| 2012 |
Martsinovich N, Ambrosio F, Troisi A. Adsorption and electron injection of the N3 metal-organic dye on the TiO2 rutile (110) surface. Physical Chemistry Chemical Physics : Pccp. 14: 16668-76. PMID 23092996 DOI: 10.1039/C2Cp42350B |
0.307 |
|
| 2012 |
Caruso D, Troisi A. Long-range exciton dissociation in organic solar cells. Proceedings of the National Academy of Sciences of the United States of America. 109: 13498-502. PMID 22869702 DOI: 10.1073/Pnas.1206172109 |
0.41 |
|
| 2012 |
Maggio E, Martsinovich N, Troisi A. Evaluating Charge Recombination Rate in Dye-Sensitized Solar Cells from Electronic Structure Calculations Journal of Physical Chemistry C. 116: 7638-7649. DOI: 10.1021/Jp210558X |
0.389 |
|
| 2012 |
Ambrosio F, Martsinovich N, Troisi A. Effect of the Anchoring Group on Electron Injection: Theoretical Study of Phosphonated Dyes for Dye-Sensitized Solar Cells Journal of Physical Chemistry C. 116: 2622-2629. DOI: 10.1021/Jp209823T |
0.314 |
|
| 2011 |
Liu T, Cheung DL, Troisi A. Structural variability and dynamics of the P3HT/PCBM interface and its effects on the electronic structure and the charge-transfer rates in solar cells. Physical Chemistry Chemical Physics : Pccp. 13: 21461-70. PMID 22048763 DOI: 10.1039/C1Cp23084K |
0.674 |
|
| 2011 |
Chang JF, Sakanoue T, Olivier Y, Uemura T, Dufourg-Madec MB, Yeates SG, Cornil J, Takeya J, Troisi A, Sirringhaus H. Hall-effect measurements probing the degree of charge-carrier delocalization in solution-processed crystalline molecular semiconductors. Physical Review Letters. 107: 066601. PMID 21902350 DOI: 10.1103/Physrevlett.107.066601 |
0.415 |
|
| 2011 |
McMahon DP, Troisi A. Persistence time of charge carriers in defect states of molecular semiconductors. Physical Chemistry Chemical Physics : Pccp. 13: 10241-8. PMID 21526236 DOI: 10.1039/C1Cp20192A |
0.375 |
|
| 2011 |
Troisi A. Charge transport in high mobility molecular semiconductors: classical models and new theories. Chemical Society Reviews. 40: 2347-58. PMID 21409232 DOI: 10.1039/C0Cs00198H |
0.449 |
|
| 2011 |
Troisi A. Dynamic disorder in molecular semiconductors: charge transport in two dimensions. The Journal of Chemical Physics. 134: 034702. PMID 21261379 DOI: 10.1063/1.3524314 |
0.447 |
|
| 2011 |
Martsinovich N, Troisi A. Theoretical studies of dye-sensitised solar cells: from electronic structure to elementary processes Energy and Environmental Science. 4: 4473-4495. DOI: 10.1039/C1Ee01906F |
0.382 |
|
| 2011 |
McMahon DP, Cheung DL, Troisi A. Why holes and electrons separate so well in polymer/fullerene photovoltaic cells Journal of Physical Chemistry Letters. 2: 2737-2741. DOI: 10.1021/Jz201325G |
0.4 |
|
| 2011 |
McMahon DP, Cheung DL, Goris L, Dacuña J, Salleo A, Troisi A. Relation between microstructure and charge transport in polymers of different regioregularity Journal of Physical Chemistry C. 115: 19386-19393. DOI: 10.1021/Jp207026S |
0.418 |
|
| 2011 |
Martsinovich N, Troisi A. High-Throughput Computational Screening of Chromophores for Dye-Sensitized Solar Cells Journal of Physical Chemistry C. 115: 11781-11792. DOI: 10.1021/Jp2026847 |
0.375 |
|
| 2011 |
Liu T, Troisi A. Absolute Rate of Charge Separation and Recombination in a Molecular Model of the P3HT/PCBM Interface Journal of Physical Chemistry C. 115: 2406-2415. DOI: 10.1021/Jp109130Y |
0.408 |
|
| 2011 |
Troisi A. The speed limit for sequential charge hopping in molecular materials Organic Electronics. 12: 1988-1991. DOI: 10.1016/J.Orgel.2011.08.020 |
0.441 |
|
| 2010 |
Fortuna S, Troisi A. Agent-based modeling for the 2D molecular self-organization of realistic molecules. The Journal of Physical Chemistry. B. 114: 10151-9. PMID 20684638 DOI: 10.1021/Jp103950M |
0.306 |
|
| 2010 |
Vehoff T, Baumeier B, Troisi A, Andrienko D. Charge transport in organic crystals: role of disorder and topological connectivity. Journal of the American Chemical Society. 132: 11702-8. PMID 20666495 DOI: 10.1021/Ja104380C |
0.434 |
|
| 2010 |
McMahon DP, Troisi A. Organic semiconductors: impact of disorder at different timescales. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 11: 2067-74. PMID 20540142 DOI: 10.1002/Cphc.201000182 |
0.416 |
|
| 2010 |
Jones DR, Troisi A. A method to rapidly predict the charge injection rate in dye sensitized solar cells. Physical Chemistry Chemical Physics : Pccp. 12: 4625-34. PMID 20428542 DOI: 10.1039/B926157E |
0.401 |
|
| 2010 |
Fortuna S, Cheung DL, Troisi A. Hexagonal lattice model of the patterns formed by hydrogen-bonded molecules on the surface. The Journal of Physical Chemistry. B. 114: 1849-58. PMID 20085241 DOI: 10.1021/Jp9098649 |
0.616 |
|
| 2010 |
Troisi A. Quantum dynamic localization in the Holstein Hamiltonian at finite temperatures Physical Review B. 82. DOI: 10.1103/Physrevb.82.245202 |
0.376 |
|
| 2010 |
McMahon DP, Troisi A. Evaluation of the external reorganization energy of polyacenes Journal of Physical Chemistry Letters. 1: 941-946. DOI: 10.1021/Jz1001049 |
0.349 |
|
| 2010 |
Martsinovich N, Troisi A. Modeling the Self-Assembly of Benzenedicarboxylic Acids Using Monte Carlo and Molecular Dynamics Simulations Journal of Physical Chemistry C. 114: 4376-4388. DOI: 10.1021/Jp911671B |
0.335 |
|
| 2010 |
Martsinovich N, Jones DR, Troisi A. Electronic Structure of TiO2 Surfaces and Effect of Molecular Adsorbates Using Different DFT Implementations Journal of Physical Chemistry C. 114: 22659-22670. DOI: 10.1021/Jp109756G |
0.341 |
|
| 2010 |
Cheung DL, Troisi A. Theoretical Study of the Organic Photovoltaic Electron Acceptor PCBM: Morphology, Electronic Structure, and Charge Localization† Journal of Physical Chemistry C. 114: 20479-20488. DOI: 10.1021/Jp1049167 |
0.42 |
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| 2010 |
Vehoff T, Chung YS, Johnston K, Troisi A, Yoon DY, Andrienko D. Charge Transport in Self-Assembled Semiconducting Organic Layers: Role of Dynamic and Static Disorder Journal of Physical Chemistry C. 114: 10592-10597. DOI: 10.1021/Jp101738G |
0.433 |
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| 2010 |
McMahon DP, Troisi A. Organic semiconductors: Impact of disorder at different timescales Chemphyschem. 11: 2067-2074. DOI: 10.1002/cphc.201000182 |
0.301 |
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| 2009 |
Troisi A, Cheung DL. Transition from dynamic to static disorder in one-dimensional organic semiconductors. The Journal of Chemical Physics. 131: 014703. PMID 19586113 DOI: 10.1063/1.3167406 |
0.688 |
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| 2009 |
Fortuna S, Troisi A. An artificial intelligence approach for modeling molecular self-assembly: agent-based simulations of rigid molecules. The Journal of Physical Chemistry. B. 113: 9877-85. PMID 19569637 DOI: 10.1021/Jp9030442 |
0.306 |
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| 2009 |
Cheung DL, McMahon DP, Troisi A. Computational study of the structure and charge-transfer parameters in low-molecular-mass P3HT. The Journal of Physical Chemistry. B. 113: 9393-401. PMID 19537781 DOI: 10.1021/Jp904057M |
0.673 |
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| 2009 |
Troisi A, Cheung DL, Andrienko D. Charge transport in semiconductors with multiscale conformational dynamics. Physical Review Letters. 102: 116602. PMID 19392224 DOI: 10.1103/Physrevlett.102.116602 |
0.694 |
|
| 2009 |
Cheung DL, Troisi A. Molecular structure and phase behaviour of hairy-rod polymers. Physical Chemistry Chemical Physics : Pccp. 11: 2105-12. PMID 19280021 DOI: 10.1039/B818428C |
0.622 |
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| 2009 |
Rahimi M, Troisi A. Probing local electric field and conformational switching in single-molecule break junctions Physical Review B. 79: 113413. DOI: 10.1103/Physrevb.79.113413 |
0.377 |
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| 2009 |
Cheung DL, McMahon DP, Troisi A. A realistic description of the charge carrier wave function in microcrystalline polymer semiconductors Journal of the American Chemical Society. 131: 11179-11186. DOI: 10.1021/Ja903843C |
0.381 |
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| 2009 |
McMahon DP, Troisi A. An ad hoc tight binding method to study the electronic structure of semiconducting polymers Chemical Physics Letters. 480: 210-214. DOI: 10.1016/J.Cplett.2009.09.032 |
0.375 |
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| 2009 |
Sleigh JP, McMahon DP, Troisi A. Effect of the intermolecular thermal motions on the tail of the electronic density of states in polyacene crystals Applied Physics a: Materials Science and Processing. 95: 147-152. DOI: 10.1007/S00339-008-5002-4 |
0.404 |
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| 2009 |
Troisi A. Theories of the Charge Transport Mechanism in Ordered Organic Semiconductors Advances in Polymer Science. 223: 213-258. DOI: 10.1007/12_2009_10 |
0.444 |
|
| 2008 |
Troisi A. Inelastic electron tunnelling in saturated molecules with different functional groups: correlations and symmetry considerations from a computational study. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 20: 374111. PMID 21694418 DOI: 10.1088/0953-8984/20/37/374111 |
0.348 |
|
| 2008 |
Cheung DL, Troisi A. Modelling charge transport in organic semiconductors: from quantum dynamics to soft matter. Physical Chemistry Chemical Physics : Pccp. 10: 5941-52. PMID 18825280 DOI: 10.1039/B807750A |
0.682 |
|
| 2008 |
v Laarhoven HA, Flipse CF, Koeberg M, Bonn M, Hendry E, Orlandi G, Jurchescu OD, Palstra TT, Troisi A. On the mechanism of charge transport in pentacene. The Journal of Chemical Physics. 129: 044704. PMID 18681667 DOI: 10.1063/1.2955462 |
0.392 |
|
| 2008 |
Galperin M, Ratner MA, Nitzan A, Troisi A. Nuclear coupling and polarization in molecular transport junctions: beyond tunneling to function. Science (New York, N.Y.). 319: 1056-60. PMID 18292333 DOI: 10.1126/Science.1146556 |
0.663 |
|
| 2007 |
Long DP, Troisi A. Inelastic electron tunneling spectroscopy of alkane monolayers with dissimilar attachment chemistry to gold. Journal of the American Chemical Society. 129: 15303-10. PMID 17997556 DOI: 10.1021/Ja074970Z |
0.389 |
|
| 2007 |
Troisi A, Beebe JM, Picraux LB, van Zee RD, Stewart DR, Ratner MA, Kushmerick JG. Tracing electronic pathways in molecules by using inelastic tunneling spectroscopy. Proceedings of the National Academy of Sciences of the United States of America. 104: 14255-9. PMID 17726099 DOI: 10.1073/Pnas.0704208104 |
0.414 |
|
| 2007 |
Troisi A, Ratner MA. Inelastic insights for molecular tunneling pathways: bypassing the terminal groups. Physical Chemistry Chemical Physics : Pccp. 9: 2421-7. PMID 17492106 DOI: 10.1039/B702377D |
0.376 |
|
| 2007 |
Jones DR, Troisi A. Single Molecule Conductance of Linear Dithioalkanes in the Liquid Phase: Apparently Activated Transport Due to Conformational Flexibility Journal of Physical Chemistry C. 111: 14567-14573. DOI: 10.1021/Jp074351C |
0.369 |
|
| 2007 |
Troisi A. Prediction of the Absolute Charge Mobility of Molecular Semiconductors: the Case of Rubrene Advanced Materials. 19: 2000-2004. DOI: 10.1002/Adma.200700550 |
0.419 |
|
| 2006 |
Troisi A, Ratner MA. Molecular signatures in the transport properties of molecular wire junctions: what makes a junction "molecular"? Small (Weinheim An Der Bergstrasse, Germany). 2: 172-81. PMID 17193017 DOI: 10.1002/Smll.200500201 |
0.406 |
|
| 2006 |
Troisi A, Ratner MA. Propensity rules for inelastic electron tunneling spectroscopy of single-molecule transport junctions. The Journal of Chemical Physics. 125: 214709. PMID 17166042 DOI: 10.1063/1.2390698 |
0.389 |
|
| 2006 |
Long DP, Lazorcik JL, Mantooth BA, Moore MH, Ratner MA, Troisi A, Yao Y, Ciszek JW, Tour JM, Shashidhar R. Effects of hydration on molecular junction transport Nature Materials. 5: 901-908. PMID 17041584 DOI: 10.1038/Nmat1754 |
0.402 |
|
| 2006 |
Troisi A, Orlandi G. Charge-transport regime of crystalline organic semiconductors: diffusion limited by thermal off-diagonal electronic disorder. Physical Review Letters. 96: 086601. PMID 16606209 DOI: 10.1103/Physrevlett.96.086601 |
0.438 |
|
| 2006 |
Troisi A, Orlandi G. Dynamics of the intermolecular transfer integral in crystalline organic semiconductors. The Journal of Physical Chemistry. A. 110: 4065-70. PMID 16539430 DOI: 10.1021/jp055432g |
0.371 |
|
| 2006 |
Troisi A. Charge dynamics through pi-stacked arrays of conjugated molecules: effect of dynamic disorder in different transport/transfer regimes Molecular Simulation. 32: 707-716. DOI: 10.1080/08927020600857305 |
0.468 |
|
| 2005 |
Troisi A, Orlandi G. Band structure of the four pentacene polymorphs and effect on the hole mobility at low temperature. The Journal of Physical Chemistry. B. 109: 1849-56. PMID 16851167 DOI: 10.1021/Jp0457489 |
0.378 |
|
| 2005 |
Troisi A, Ratner MA. Modeling the inelastic electron tunneling spectra of molecular wire junctions Physical Review B. 72. DOI: 10.1103/Physrevb.72.033408 |
0.361 |
|
| 2005 |
Troisi A, Orlandi G, Anthony JE. Electronic Interactions and Thermal Disorder in Molecular Crystals Containing Cofacial Pentacene Units Chemistry of Materials. 17: 5024-5031. DOI: 10.1021/Cm051150H |
0.425 |
|
| 2004 |
Troisi A, Ratner MA, Zimmt MB. Dynamic nature of the intramolecular electronic coupling mediated by a solvent molecule: a computational study. Journal of the American Chemical Society. 126: 2215-24. PMID 14971957 DOI: 10.1021/Ja038905A |
0.441 |
|
| 2004 |
Tsonchev S, Troisi A, Schatz GC, Ratner MA. All-Atom Numerical Studies of Self-Assembly of Zwitterionic Peptide Amphiphiles The Journal of Physical Chemistry B. 108: 15278-15284. DOI: 10.1021/Jp047880E |
0.305 |
|
| 2003 |
Guldi DM, Hirsch A, Scheloske M, Dietel E, Troisi A, Zerbetto F, Prato M. Modulating charge-transfer interactions in topologically different porphyrin-C60 dyads. Chemistry (Weinheim An Der Bergstrasse, Germany). 9: 4968-79. PMID 14562315 DOI: 10.1002/Chem.200304995 |
0.4 |
|
| 2003 |
Troisi A, Nitzan A, Ratner MA. A rate constant expression for charge transfer through fluctuating bridges Journal of Chemical Physics. 119: 5782-5788. DOI: 10.1063/1.1601600 |
0.534 |
|
| 2003 |
Troisi A, Ratner MA, Nitzan A. Vibronic effects in off-resonant molecular wire conduction Journal of Chemical Physics. 118: 6072-6082. DOI: 10.1063/1.1556854 |
0.564 |
|
| 2003 |
Troisi A, Orlandi G. Construction of electronic diabatic states within a molecular orbital scheme Journal of Chemical Physics. 118: 5356-5363. DOI: 10.1063/1.1555118 |
0.359 |
|
| 2002 |
Troisi A, Ratner MA. Molecular rectification through electric field induced conformational changes. Journal of the American Chemical Society. 124: 14528-9. PMID 12465950 DOI: 10.1021/Ja028281T |
0.33 |
|
| 2002 |
Troisi A, Orlandi G. Hole Migration in DNA: a Theoretical Analysis of the Role of Structural Fluctuations Journal of Physical Chemistry B. 106: 2093-2101. DOI: 10.1021/Jp0133182 |
0.358 |
|
| 2001 |
Leigh DA, Troisi A, Zerbetto F. A quantum-mechanical description of macrocyclic ring rotation in benzylic amide [2]catenanes Chemistry - a European Journal. 7: 1450-1454. PMID 11330899 DOI: 10.1002/1521-3765(20010401)7:7<1450::Aid-Chem1450>3.0.Co;2-N |
0.329 |
|
| 2001 |
Troisi A, Orlandi G. The hole transfer in DNA: calculation of electron coupling between close bases Chemical Physics Letters. 344: 509-518. DOI: 10.1016/S0009-2614(01)00792-8 |
0.362 |
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