NOTE: We are testing a new system for identifying relevant work based on semantic analysis that identifies similarities between recently published papers and the current author's publications. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches.
50 most relevant papers in past 60 days:
Year Citation  Score
2021 Akhtar P, Caspy I, Nowakowski PJ, Malavath T, Nelson N, Tan HS, Lambrev PH. Two-Dimensional Electronic Spectroscopy of a Minimal Photosystem I Complex Reveals the Rate of Primary Charge Separation. Journal of the American Chemical Society. PMID 34472838 DOI: 10.1021/jacs.1c05010   
2021 Marmolejo-Valencia AF, Mata-Pinzón Z, Amador-Bedolla C. Charge-transfer electronic states in organic solar cells: a TDDFT study. Physical Chemistry Chemical Physics : Pccp. 23: 16806-16815. PMID 34323261 DOI: 10.1039/d1cp00723h   
2021 Barrett BJ, Jimenez D, Klausen RS, Bragg AE. Intramolecular Photoinduced Charge Transfer and Recombination Dynamics in Vinylarene Terminated Organosilanes. The Journal of Physical Chemistry. B. PMID 34296881 DOI: 10.1021/acs.jpcb.1c01297   
2021 He S, Han Y, Guo J, Wu K. Entropy-Gated Thermally Activated Delayed Emission Lifetime in Phenanthrene-Functionalized CsPbBr Perovskite Nanocrystals. The Journal of Physical Chemistry Letters. 8598-8604. PMID 34468154 DOI: 10.1021/acs.jpclett.1c02547   
2021 Wanigasekara S, Kattel B, Rudayni F, Chan WL. Extracting Electrons from Delocalized Excitons by Flattening the Energetic Pathway for Charge Separation. The Journal of Physical Chemistry Letters. 9047-9054. PMID 34516118 DOI: 10.1021/acs.jpclett.1c02228   
2021 Wu Z, Li L, Zhou X, Zhao X, Liu B. Kinetics and energetic analysis of the slow dispersive electron transfer from nano-TiO to O by diffusion reflectance and Laplace transform. Physical Chemistry Chemical Physics : Pccp. 23: 19901-19910. PMID 34525161 DOI: 10.1039/d1cp03135j   
2021 Elliott JD, Mosconi E, De Angelis F, Ambrosetti A, Umari P. Real Space-Real Time Evolution of Excitonic States Based on the Bethe-Salpeter Equation Method. The Journal of Physical Chemistry Letters. 12: 7261-7269. PMID 34314589 DOI: 10.1021/acs.jpclett.1c01742   
2021 Hossain MT, Das M, Ghosh J, Ghosh S, Giri PK. Understanding the interfacial charge transfer in the CVD grown BiOSe/CsPbBr nanocrystal heterostructure and its exploitation in superior photodetection: experiment theory. Nanoscale. 13: 14945-14959. PMID 34533165 DOI: 10.1039/d1nr04470b   
2021 Mehboob MY, Hussain R, Irshad Z, Adnan M. Role of acceptor guests in tuning optoelectronic properties of benzothiadiazole core based non-fullerene acceptors for high-performance bulk-heterojunction organic solar cells. Journal of Molecular Modeling. 27: 226. PMID 34259943 DOI: 10.1007/s00894-021-04843-9   
2021 Ghosh A, Cederbaum LS, Gokhberg K. Signature of the neighbor's quantum nuclear dynamics in the electron transfer mediated decay spectra. Chemical Science. 12: 9379-9385. PMID 34349910 DOI: 10.1039/d1sc01478a   
2021 Ye S, Shi W, Liu Y, Li D, Yin H, Chi H, Luo Y, Ta N, Fan F, Wang X, Li C. Unassisted Photoelectrochemical Cell with Multimediator Modulation for Solar Water Splitting Exceeding 4% Solar-to-Hydrogen Efficiency. Journal of the American Chemical Society. PMID 34343431 DOI: 10.1021/jacs.1c00802   
2021 Chakravarty C, Aksu H, Maiti B, Dunietz BD. Electronic Spectra of C Films Using Screened Range Separated Hybrid Functionals. The Journal of Physical Chemistry. A. PMID 34448570 DOI: 10.1021/acs.jpca.1c04908   
2021 Díaz FR, Duan HG, Miller RJD, Thorwart M. Ultrafast Charge Transfer and Relaxation at a Donor-Acceptor Interface. The Journal of Physical Chemistry. B. PMID 34319718 DOI: 10.1021/acs.jpcb.1c03595   
2021 Shivhare R, Moore GJ, Hofacker A, Hutsch S, Zhong Y, Hambsch M, Erdmann T, Kiriy A, Mannsfeld SCB, Ortmann F, Banerji N. Short Excited-State Lifetimes Mediate Charge-Recombination Losses in Organic Solar Cell Blends with Low Charge-Transfer Driving Force. Advanced Materials (Deerfield Beach, Fla.). e2101784. PMID 34396598 DOI: 10.1002/adma.202101784   
2021 Zahid S, Rasool A, Shehzad RA, Bhatti IA, Iqbal J. Tuning the optoelectronic properties of triphenylamine (TPA) based small molecules by modifying central core for photovoltaic applications. Journal of Molecular Modeling. 27: 237. PMID 34363112 DOI: 10.1007/s00894-021-04867-1   
2021 Caballero R, Barrejón M, Cerdá J, Aragó J, Seetharaman S, de la Cruz P, Ortí E, D'Souza F, Langa F. Self-Assembly-Directed Organization of a Fullerene-Bisporphyrin into Supramolecular Giant Donut Structures for Excited-State Charge Stabilization. Journal of the American Chemical Society. 143: 11199-11208. PMID 34260220 DOI: 10.1021/jacs.1c05133   
2021 Purschke DN, Pielmeier MRP, Üzer E, Ott C, Jensen C, Degg A, Vogel A, Amer N, Nilges T, Hegmann FA. Ultrafast Photoconductivity and Terahertz Vibrational Dynamics in Double-Helix SnIP Nanowires. Advanced Materials (Deerfield Beach, Fla.). e2100978. PMID 34278600 DOI: 10.1002/adma.202100978   
2021 Purschke DN, Pielmeier MRP, Üzer E, Ott C, Jensen C, Degg A, Vogel A, Amer N, Nilges T, Hegmann FA. Ultrafast Photoconductivity and Terahertz Vibrational Dynamics in Double-Helix SnIP Nanowires. Advanced Materials (Deerfield Beach, Fla.). e2100978. PMID 34278600 DOI: 10.1002/adma.202100978   
2021 Yang L, Horton JT, Payne MC, Penfold TJ, Cole DJ. Modeling Molecular Emitters in Organic Light-Emitting Diodes with the Quantum Mechanical Bespoke Force Field. Journal of Chemical Theory and Computation. PMID 34264669 DOI: 10.1021/acs.jctc.1c00135   
2021 Garain BC, Samanta PK, Pati SK. Intersystem Crossing in Boron-Based Donor-Spiro-Acceptor Organic Chromophore: A Detailed Theoretical Study. The Journal of Physical Chemistry. A. PMID 34343011 DOI: 10.1021/acs.jpca.1c03729   
2021 Weng G, Vlček V. Efficient treatment of molecular excitations in the liquid phase environment via stochastic many-body theory. The Journal of Chemical Physics. 155: 054104. PMID 34364336 DOI: 10.1063/5.0058410   
2021 Imran M, Sukhanov AA, Maity P, Elmali A, Zhao J, Karatay A, Mohammed OF, Voronkova VK. Chromophore Orientation-Dependent Photophysical Properties of Pyrene-Naphthalimide Compact Electron Donor-Acceptor Dyads: Electron Transfer and Intersystem Crossing. The Journal of Physical Chemistry. B. PMID 34355560 DOI: 10.1021/acs.jpcb.1c03537   
2021 D'Souza F, Misra R, Bijesh S, Dawson A, Jang Y, MohanSingh KV. Charge-Transfer in Panchromatic Porphyrin-Tetracyanobuta-1,3-diene-Donor Conjugates: Switching the Role of Porphyrin in the Charge Separation Process. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 34375474 DOI: 10.1002/chem.202102865   
2021 Qin C, Jiang Z, Zhou Z, Liu YF, Jiang YH. Multiexciton Dynamics in CsPbBr3 Nanocrystals: The Dependence on Pump Fluence and Temperature. Nanotechnology. PMID 34325407 DOI: 10.1088/1361-6528/ac18d7   
2021 Weng Q, Yang L, An Z, Chen P, Tzalenchuk A, Lu W, Komiyama S. Quasiadiabatic electron transport in room temperature nanoelectronic devices induced by hot-phonon bottleneck. Nature Communications. 12: 4752. PMID 34362908 DOI: 10.1038/s41467-021-25094-5   
2021 Mezzina Freitas LP, Feliciano GT. Atomic and Electronic Structure of Pilus from through QM/MM Calculations: Evidence for Hole Transfer in Aromatic Residues. The Journal of Physical Chemistry. B. PMID 34292748 DOI: 10.1021/acs.jpcb.1c01185   
2021 Hammes-Schiffer S. Nuclear-electronic orbital methods: Foundations and prospects. The Journal of Chemical Physics. 155: 030901. PMID 34293877 DOI: 10.1063/5.0053576   
2021 Chen Z, Tsui YY, Mo MZ, Fedosejevs R, Ozaki T, Recoules V, Sterne PA, Ng A. Electron Kinetics Induced by Ultrafast Photoexcitation of Warm Dense Matter in a 30-nm-Thick Foil. Physical Review Letters. 127: 097403. PMID 34506197 DOI: 10.1103/PhysRevLett.127.097403   
2021 Li S, Jiang Y, Wang Y, Sanvito S, Hou S. In Situ Tuning of the Charge-Carrier Polarity in Imidazole-Linked Single-Molecule Junctions. The Journal of Physical Chemistry Letters. 7596-7604. PMID 34347489 DOI: 10.1021/acs.jpclett.1c01996   
2021 Thomas JO, Sowa JK, Limburg B, Bian X, Evangeli C, Swett JL, Tewari S, Baugh J, Schatz GC, Briggs GAD, Anderson HL, Mol JA. Charge transport through extended molecular wires with strongly correlated electrons. Chemical Science. 12: 11121-11129. PMID 34522309 DOI: 10.1039/d1sc03050g   
2021 Capodilupo AL, Fabiano E, Franco L, Gambino S, Leoncini M, Accorsi G, Gigli G. Control of Electron Transfer Processes in Multidimensional Arylamine-Based Mixed-Valence Compounds by Molecular Backbone Design. The Journal of Physical Chemistry. A. PMID 34473509 DOI: 10.1021/acs.jpca.1c05435   
2021 Kaiser W, Janković V, Vukmirović N, Gagliardi A. Nonequilibrium Thermodynamics of Charge Separation in Organic Solar Cells. The Journal of Physical Chemistry Letters. 12: 6389-6397. PMID 34232672 DOI: 10.1021/acs.jpclett.1c01817   
2021 Sebastian E, Hariharan M. Null Exciton-Coupled Chromophoric Dimer Exhibits Symmetry-Breaking Charge Separation. Journal of the American Chemical Society. PMID 34370481 DOI: 10.1021/jacs.1c05793   
2021 Dhindsa JS, Buguis FL, Anghel M, Gilroy JB. Band Gap Engineering in Acceptor-Donor-Acceptor Boron Difluoride Formazanates. The Journal of Organic Chemistry. PMID 34355898 DOI: 10.1021/acs.joc.1c01416   
2021 Sorour MI, Kistler KA, Marcus AH, Matsika S. Accurate Modeling of Excitonic Coupling in Cyanine Dye Cy3. The Journal of Physical Chemistry. A. PMID 34494437 DOI: 10.1021/acs.jpca.1c05556   
2021 Zeiser C, Moretti L, Geiger T, Kalix L, Valencia AM, Maiuri M, Cocchi C, Bettinger HF, Cerullo G, Broch K. Permanent Dipole Moments Enhance Electronic Coupling and Singlet Fission in Pentacene. The Journal of Physical Chemistry Letters. 7453-7458. PMID 34339199 DOI: 10.1021/acs.jpclett.1c01805   
2021 Gorka M, Charles P, Kalendra V, Baldansuren A, Lakshmi KV, Golbeck JH. A dimeric chlorophyll electron acceptor differentiates type I from type II photosynthetic reaction centers. Iscience. 24: 102719. PMID 34278250 DOI: 10.1016/j.isci.2021.102719   
2021 Gorka M, Charles P, Kalendra V, Baldansuren A, Lakshmi KV, Golbeck JH. A dimeric chlorophyll electron acceptor differentiates type I from type II photosynthetic reaction centers. Iscience. 24: 102719. PMID 34278250 DOI: 10.1016/j.isci.2021.102719   
2021 Sun G, Wang XH, Li J, Yang BT, Gao Y, Geng Y. Effect of hybridized local and charge transfer molecules rotation in excited state on exciton utilization. Scientific Reports. 11: 17686. PMID 34480055 DOI: 10.1038/s41598-021-97229-z   
2021 Tian X, Sheng J, Zhang S, Xiao S, Gao Y, Liu H, Yang B. A Novel Deep Blue LE-Dominated HLCT Excited State Design Strategy and Material for OLED. Molecules (Basel, Switzerland). 26. PMID 34361710 DOI: 10.3390/molecules26154560   
2021 Zhang Z, Chang Z, Fan X, Zhou J, Wang X, Li G, Zhang X, Zhu J, Tang D. Pressure dependent thermoreflectance spectroscopy induced by interband transitions in metallic nano-film. Iscience. 24: 102990. PMID 34485869 DOI: 10.1016/j.isci.2021.102990   
2021 Anstöter CS, DelloStritto M, Klein ML, Matsika S. Modeling the Ultrafast Electron Attachment Dynamics of Solvated Uracil. The Journal of Physical Chemistry. A. PMID 34347484 DOI: 10.1021/acs.jpca.1c05288   
2021 Zahn C, Stensitzki T, Berg A, Mahammed A, Zacarias A, Gross Z, Heyne K. Ultrafast Electron Transfer in a Self-Assembling Sulfonated Aluminum Corrole-Methylviologen Complex. The Journal of Physical Chemistry. B. PMID 34506146 DOI: 10.1021/acs.jpcb.1c05687   
2021 Martinez P, Blanchet V, Descamps D, Dory JB, Fourment C, Papagiannouli I, Petit S, Raty JY, Noé P, Gaudin J. Sub-Picosecond Non-Equilibrium States in the Amorphous Phase of GeTe Phase-Change Material Thin Films. Advanced Materials (Deerfield Beach, Fla.). e2102721. PMID 34427368 DOI: 10.1002/adma.202102721   
2021 Witte F, Rietsch P, Nirmalananthan-Budau N, Weigert F, Götze JP, Resch-Genger U, Eigler S, Paulus B. Aggregation-induced emission leading to two distinct emissive species in the solid-state structure of high-dipole organic chromophores. Physical Chemistry Chemical Physics : Pccp. 23: 17521-17529. PMID 34368821 DOI: 10.1039/d1cp02534a   
2021 Cheng NLQ, Xuan F, Spataru CD, Quek SY. Charge Transfer Screening and Energy Level Alignment at Complex Organic-Inorganic Interfaces: A Tractable GW Approach. The Journal of Physical Chemistry Letters. 8841-8846. PMID 34492190 DOI: 10.1021/acs.jpclett.1c02302   
2021 Xiang H, Wang Z, Chen J. Revealing and Facilitating the Rate-Determining Step for Efficient Sunlight-Driven Photocatalysis. The Journal of Physical Chemistry Letters. 7665-7670. PMID 34351768 DOI: 10.1021/acs.jpclett.1c02101   
2021 Sagan CR, Garand E. Anion Resonances and Photoelectron Spectroscopy of the Tetracenyl Anion. The Journal of Physical Chemistry. A. PMID 34370462 DOI: 10.1021/acs.jpca.1c05938   
2021 Wiebeler C, Vollbrecht J, Neuba A, Kitzerow HS, Schumacher S. Unraveling the electrochemical and spectroscopic properties of neutral and negatively charged perylene tetraethylesters. Scientific Reports. 11: 16097. PMID 34373513 DOI: 10.1038/s41598-021-95551-0   
2021 Gogoi H, Maddala BG, Ali F, Datta A. Role of Solvent in Electron-Phonon Relaxation Dynamics in Core-Shell Au-SiO2 Nanoparticles. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. PMID 34402561 DOI: 10.1002/cphc.202100592