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Dmitri S. Kilin, dr. rer. nat. - Publications

Affiliations: 
Chemistry University of South Dakota, Vermillion, SD, United States 
 2015- Chemistry and Biochemistry North Dakota State University, Fargo, ND, United States 
Area:
charge transfer dynamics
Website:
http://www.usd.edu/arts-and-sciences/chemistry/dmitri-kilin.cfm

129 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 Qu H, Han Y, Fortner J, Wu X, Kilina S, Kilin D, Tretiak S, Wang Y. [2 + 2] Cycloaddition Produces Divalent Organic Color-Centers with Reduced Heterogeneity in Single-Walled Carbon Nanotubes. Journal of the American Chemical Society. PMID 39101632 DOI: 10.1021/jacs.4c08105  0.56
2024 Keya KN, Han Y, Xia W, Kilin D. Inter-Oligomer Interaction Influence on Photoluminescence in Cis-Polyacetylene Semiconductor Materials. Polymers. 16. PMID 39000752 DOI: 10.3390/polym16131896  0.397
2024 Thapa D, Sharma SB, Alfè D, Kilin D, Kilina S. Signature of low-dimensional quasi-F centers in zirconium-rich electrides. Materials Horizons. PMID 38747524 DOI: 10.1039/d4mh00437j  0.65
2024 Erickson M, Casañola-Martin G, Han Y, Rasulev B, Kilin D. Relationships between the Photodegradation Reaction Rate and Structural Properties of Polymer Systems. The Journal of Physical Chemistry. B. 128: 2190-2200. PMID 38386478 DOI: 10.1021/acs.jpcb.3c06854  0.567
2024 Karuth A, Casanola-Martin GM, Lystrom L, Sun W, Kilin D, Kilina S, Rasulev B. Combined Machine Learning, Computational, and Experimental Analysis of the Iridium(III) Complexes with Red to Near-Infrared Emission. The Journal of Physical Chemistry Letters. 471-480. PMID 38190332 DOI: 10.1021/acs.jpclett.3c02533  0.68
2023 Granlie JD, Hobbie EK, Kilin DS. Formation and Luminescence of Single Oxygen Impurities on the Surface of SiC Nanocrystals. The Journal of Physical Chemistry Letters. 6202-6208. PMID 37382904 DOI: 10.1021/acs.jpclett.3c01182  0.313
2023 Vazhappilly T, Kilin DS, Micha DA. Photoabsorbance of supported metal clusters: density matrix and model studies of large Ag clusters on Si surfaces. Physical Chemistry Chemical Physics : Pccp. PMID 36602101 DOI: 10.1039/d2cp04922h  0.587
2022 Forde A, Lystrom L, Sun W, Kilin D, Kilina S. Improving Near-Infrared Emission of -Aryldipyrrin Indium(III) Complexes via Annulation Bridging: Excited-State Dynamics. The Journal of Physical Chemistry Letters. 9210-9220. PMID 36170557 DOI: 10.1021/acs.jpclett.2c02115  0.808
2022 Zheng Y, Han Y, Weight BM, Lin Z, Gifford BJ, Zheng M, Kilin D, Kilina S, Doorn SK, Htoon H, Tretiak S. Photochemical spin-state control of binding configuration for tailoring organic color center emission in carbon nanotubes. Nature Communications. 13: 4439. PMID 35915090 DOI: 10.1038/s41467-022-31921-0  0.59
2022 Erickson M, Han Y, Rasulev B, Kilin D. Molecular Dynamics Study of the Photodegradation of Polymeric Chains. The Journal of Physical Chemistry Letters. 4374-4380. PMID 35544382 DOI: 10.1021/acs.jpclett.2c00802  0.577
2022 Vazhappilly T, Han Y, Kilin DS, Micha DA. Electronic relaxation of photoexcited open and closed shell adsorbates on semiconductors: Ag and Ag on TiO. The Journal of Chemical Physics. 156: 104705. PMID 35291769 DOI: 10.1063/5.0082748  0.65
2022 Forde A, Ghosh D, Kilin D, Evans AC, Tretiak S, Neukirch AJ. Induced Chirality in Halide Perovskite Clusters through Surface Chemistry. The Journal of Physical Chemistry Letters. 13: 686-693. PMID 35023749 DOI: 10.1021/acs.jpclett.1c04060  0.786
2021 Johnson L, Kilin D. Effect of ligand groups on photoexcited charge carrier dynamics at the perovskite/TiO interface. Rsc Advances. 12: 78-87. PMID 35424519 DOI: 10.1039/d1ra05306j  0.313
2021 Forde A, Kilin D. Defect Tolerance Mechanism Revealed! Influence of Polaron Occupied Surface Trap States on CsPbBr Nanocrystal Photoluminescence: Excited-State Dynamics. Journal of Chemical Theory and Computation. 17: 7224-7236. PMID 34665621 DOI: 10.1021/acs.jctc.1c00691  0.784
2021 Weight BM, Sifain AE, Gifford BJ, Kilin D, Kilina S, Tretiak S. Coupling between Emissive Defects on Carbon Nanotubes: Modeling Insights. The Journal of Physical Chemistry Letters. 12: 7846-7853. PMID 34380317 DOI: 10.1021/acs.jpclett.1c01631  0.634
2021 Han Y, Iduoku K, Grant G, Rasulev B, Leontyev A, Hobbie EK, Tretiak S, Kilina SV, Kilin DS. Hot Carrier Dynamics at Ligated Silicon(111) Surfaces: A Computational Study. The Journal of Physical Chemistry Letters. 7504-7511. PMID 34342460 DOI: 10.1021/acs.jpclett.1c02084  0.762
2021 Alesadi A, Fatima F, Xia W, Kilin D. First-Principles Study on the Electronic Properties of PDPP-Based Conjugated Polymer via Density Functional Theory. The Journal of Physical Chemistry. B. PMID 34324337 DOI: 10.1021/acs.jpcb.1c02518  0.444
2020 Forde A, Fagan JA, Schaller RD, Thomas SA, Brown SL, Kurtti MB, Petersen RJ, Kilin DS, Hobbie EK. Brightly Luminescent CsPbBr Nanocrystals through Ultracentrifugation. The Journal of Physical Chemistry Letters. PMID 32787334 DOI: 10.1021/Acs.Jpclett.0C01936  0.778
2020 White DL, Lystrom L, He X, Burkert SC, Kilin DS, Kilina S, Star A. Synthesis of Holey Graphene Nanoparticle Compounds. Acs Applied Materials & Interfaces. PMID 32672929 DOI: 10.1021/Acsami.0C09394  0.643
2020 Brennan MC, Forde A, Zhukovskyi M, Baublis AJ, Morozov YV, Zhang S, Zhang Z, Kilin DS, Kuno MK. Universal Size-Dependent Stokes Shifts in Lead Halide Perovskite Nanocrystals. The Journal of Physical Chemistry Letters. PMID 32482071 DOI: 10.1021/Acs.Jpclett.0C01407  0.757
2020 Pringle TA, Hunter KI, Brumberg A, Anderson KJ, Fagan JA, Thomas SA, Petersen RJ, Sefannaser M, Han Y, Brown SL, Kilin DS, Schaller RD, Kortshagen UR, Boudjouk PR, Hobbie EK. Bright Silicon Nanocrystals from a Liquid Precursor: Quasi-Direct Recombination with High Quantum Yield. Acs Nano. PMID 32150383 DOI: 10.1021/Acsnano.9B09614  0.481
2019 Han Y, Hobbie EK, Kilin DS. First-Principles Molecular Dynamics of Monomethylhydrazine and Nitrogen Dioxide. The Journal of Physical Chemistry Letters. PMID 30978025 DOI: 10.1021/Acs.Jpclett.9B00674  0.435
2019 Forde A, Inerbaev TM, Hobbie EK, Kilin DS. Excited State Dynamics of a CsPbBr3 Nanocrystal Terminated with Binary Ligands: Sparse Density of States with Giant Spin-Orbit Coupling Suppresses Carrier Cooling. Journal of the American Chemical Society. PMID 30712348 DOI: 10.1021/Jacs.8B13385  0.814
2019 Zhou S, Shi T, Chen Z, Kilin D, Shui L, Jin M, Yi Z, Yuan M, Li N, Yang X, Meng Q, Wang X, Zhou G. First-Principles Study of Optoelectronic Properties of the Noble Metal (Ag and Pd) Doped BiOX (X = F, Cl, Br, and I) Photocatalytic System Catalysts. 9: 198. DOI: 10.3390/Catal9020198  0.433
2019 Forde A, Hobbie E, Kilin D. Role of Pb2+ Adsorbents on the Opto-Electronic Properties of a CsPbBr3 Nanocrystal: A DFT Study Mrs Advances. 4: 1981-1988. DOI: 10.1557/Adv.2019.268  0.524
2019 Fatima, Vogel DJ, Han Y, Inerbaev TM, Oncel N, Kilin DS. First-principles study of electron dynamics with explicit treatment of momentum dispersion on Si nanowires along different directions Molecular Physics. 117: 2293-2302. DOI: 10.1080/00268976.2018.1538624  0.809
2019 Jensen S, Tan K, Lustig W, Kilin D, Li J, Chabal YJ, Thonhauser T. Quenching of photoluminescence in a Zn-MOF sensor by nitroaromatic molecules Journal of Materials Chemistry C. 7: 2625-2632. DOI: 10.1039/C8Tc06281A  0.669
2019 Forde A, Inerbaev T, Kilin D. Spectral Signatures of Positive and Negative Polarons in Lead-Halide Perovskite Nanocrystals The Journal of Physical Chemistry C. 124: 1027-1041. DOI: 10.1021/Acs.Jpcc.9B08044  0.433
2019 Fatima, Han Y, Vogel DJ, Inerbaev TM, Oncel N, Hobbie EK, Kilin DS. Photoexcited Electron Lifetimes Influenced by Momentum Dispersion in Silicon Nanowires Journal of Physical Chemistry C. 123: 7457-7466. DOI: 10.1021/Acs.Jpcc.9B00639  0.772
2019 Jensen S, Tan K, Lustig WP, Kilin DS, Li J, Chabal YJ, Thonhauser T. Structure-Driven Photoluminescence Enhancement in a Zn-Based Metal–Organic Framework Chemistry of Materials. 31: 7933-7940. DOI: 10.1021/Acs.Chemmater.9B02056  0.69
2018 Kryjevski A, Mihaylov D, Kilin D. Dynamics of Charge Transfer and Multiple Exciton Generation in the Doped Silicon Quantum Dot-Carbon Nanotube System: Density Functional Theory-Based Computation. The Journal of Physical Chemistry Letters. 9: 5759-5764. PMID 30199263 DOI: 10.1021/Acs.Jpclett.8B02288  0.821
2018 Han Y, Anderson KJ, Hobbie EK, Boudjouk P, Kilin DS. Unraveling Photodimerization of Cyclohexasilane from Molecular Dynamics Studies. The Journal of Physical Chemistry Letters. PMID 30004709 DOI: 10.1021/Acs.Jpclett.8B01691  0.422
2018 Balasanthiran C, Jensen S, Spanjers CS, Varapragasam SJP, Rioux RM, Kilin D, Hoefelmeyer JD. Quantitative Attachment of Bimetal Combinations of Transition-Metal Ions to the Surface of TiO Nanorods. Langmuir : the Acs Journal of Surfaces and Colloids. PMID 29708754 DOI: 10.1021/Acs.Langmuir.8B00337  0.789
2018 Kryjevski A, Mihaylov D, Kilina S, Kilin D. Multiple exciton generation in chiral carbon nanotubes: Density functional theory based computation. The Journal of Chemical Physics. 147: 154106. PMID 29055322 DOI: 10.1063/1.4997048  0.811
2018 Kryjevski A, Mihaylov D, Gifford B, Kilin D. Singlet fission in chiral carbon nanotubes: Density functional theory based computation. The Journal of Chemical Physics. 147: 034106. PMID 28734313 DOI: 10.1063/1.4992785  0.808
2018 Fatima, Vogel J, Inerbaev T, Oncel N, Kilin D. First-Principles Study of Charge Carrier Dynamics with Explicit Treatment of Momentum Dispersion on Si Nanowires along crystallographic Directions Mrs Advances. 3: 3477-3482. DOI: 10.1557/Adv.2018.560  0.439
2018 Forde A, Inerbaev T, Kilin D. Role of Cation-Anion Organic Ligands for Optical Properties of Fully Inorganic Perovskite Quantum Dots Mrs Advances. 3: 3255-3261. DOI: 10.1557/Adv.2018.552  0.392
2018 Disrud B, Han Y, Gifford BJ, Kilin DS. Molecular dynamics of reactions between (4,0) zigzag carbon nanotube and hydrogen peroxide under extreme conditions Molecular Physics. 116: 708-716. DOI: 10.1080/00268976.2017.1420258  0.34
2018 Zhou L, Neukirch AJ, Vogel DJ, Kilin DS, Pedesseau L, Carignano MA, Mohite AD, Even J, Katan C, Tretiak S. Density of States Broadening in CH3NH3PbI3 Hybrid Perovskites Understood from ab Initio Molecular Dynamics Simulations Acs Energy Letters. 3: 787-793. DOI: 10.1021/Acsenergylett.8B00166  0.809
2018 Forde A, Inerbaev T, Kilin D. Spinor Dynamics in Pristine and Mn2+-Doped CsPbBr3 NC: Role of Spin–Orbit Coupling in Ground- and Excited-State Dynamics The Journal of Physical Chemistry C. 122: 26196-26213. DOI: 10.1021/Acs.Jpcc.8B05392  0.438
2017 Han Y, Meng Q, Rasulev B, May PS, Berry MT, Kilin DS. Photoinduced Charge Transfer versus Fragmentation Pathways in Lanthanum Cyclopentadienyl Complexes. Journal of Chemical Theory and Computation. PMID 28651045 DOI: 10.1021/Acs.Jctc.7B00050  0.717
2017 Han Y, Rasulev B, Kilin DS. Photofragmentation of Tetranitromethane: Spin-Unrestricted Time-Dependent Excited-State Molecular Dynamics. The Journal of Physical Chemistry Letters. PMID 28618779 DOI: 10.1021/Acs.Jpclett.7B01330  0.685
2017 Vogel DJ, Kryjevski A, Inerbaev TM, Kilin DS. Photoinduced Single- and Multiple- Electron Dynamics Processes Enhanced by Quantum Confinement in Lead Halide Perovskite Quantum Dots. The Journal of Physical Chemistry Letters. PMID 28325048 DOI: 10.1021/Acs.Jpclett.6B03048  0.812
2017 Kryjevski A, Gifford B, Kilina S, Kilin D. Theoretical predictions on efficiency of bi-exciton formation and dissociation in chiral carbon nanotubes. The Journal of Chemical Physics. 145: 154112. PMID 27782482 DOI: 10.1063/1.4963735  0.804
2017 Han Y, Vogel DJ, Inerbaev TM, May PS, Berry MT, Kilin DS. Photoinduced dynamics to photoluminescence in Ln3+ (Ln = Ce, Pr) doped β-NaYF4 nanocrystals computed in basis of non-collinear spin DFT with spin-orbit coupling Molecular Physics. 116: 697-707. DOI: 10.1080/00268976.2017.1416193  0.74
2017 Vogel DJ, Inerbaev TM, Kilin DS. Role of Lead Vacancies for Optoelectronic Properties of Lead-Halide Perovskites The Journal of Physical Chemistry C. 122: 5216-5226. DOI: 10.1021/Acs.Jpcc.7B05375  0.796
2017 Forde A, Kilin D. Hole Transfer in Dye-Sensitized Cesium Lead Halide Perovskite Photovoltaics: Effect of Interfacial Bonding The Journal of Physical Chemistry C. 121: 20113-20125. DOI: 10.1021/Acs.Jpcc.7B04961  0.368
2017 Brown SL, Hobbie EK, Tretiak S, Kilin DS. First-Principles Study of Fluorescence in Silver Nanoclusters The Journal of Physical Chemistry C. 121: 23875-23885. DOI: 10.1021/Acs.Jpcc.7B04870  0.546
2017 Jensen SJ, Inerbaev TM, Abuova AU, Kilin DS. Spin Unrestricted Nonradiative Relaxation Dynamics of Cobalt-Doped Anatase Nanowire The Journal of Physical Chemistry C. 121: 16110-16125. DOI: 10.1021/Acs.Jpcc.7B04263  0.732
2016 Kilina SV, Tamukong PK, Kilin DS. Surface Chemistry of Semiconducting Quantum Dots: Theoretical Perspectives. Accounts of Chemical Research. PMID 27669357 DOI: 10.1021/Acs.Accounts.6B00196  0.71
2016 Sapp W, Koodali R, Kilin D. Charge Transfer Mechanism in Titanium-Doped Microporous Silica for Photocatalytic Water-Splitting Applications Catalysts. 6: 34. DOI: 10.3390/Catal6030034  0.506
2016 Hoffman MM, Kryjevski AB, Sykes AG, Kilin DS. Effect of oxidation state and coordination with Hg(II) on the electronic spectra of an anthraquinone-rhodamine sensor Molecular Physics. 114: 562-575. DOI: 10.1080/00268976.2015.1132341  0.56
2016 Brown SL, Vogel DJ, Miller JB, Inerbaev TM, Anthony RJ, Kortshagen UR, Kilin DS, Hobbie EK. Enhancing Silicon Nanocrystal Photoluminescence through Temperature and Microstructure Journal of Physical Chemistry C. 120: 18909-18916. DOI: 10.1021/Acs.Jpcc.6B05837  0.766
2016 Erck A, Sapp W, Kilina S, Kilin D. Photoinduced Charge Transfer at Interfaces of Carbon Nanotube and Lead Selenide Nanowire The Journal of Physical Chemistry C. 120: 23197-23206. DOI: 10.1021/Acs.Jpcc.6B05571  0.696
2016 Jensen SJ, Inerbaev TM, Kilin DS. Spin Unrestricted Excited State Relaxation Study of Vanadium(IV)-Doped Anatase The Journal of Physical Chemistry C. 120: 5890-5905. DOI: 10.1021/Acs.Jpcc.5B12167  0.708
2016 Yao G, Berry M, May PS, Wang J, Kilin DS. Relationship between Site Symmetry, Spin State, and Doping Concentration for Co(II) or Co(III) in β-NaYF4 Journal of Physical Chemistry C. 120: 7785-7794. DOI: 10.1021/Acs.Jpcc.5B11496  0.4
2016 Dandu N, Tretiak S, Kilina S, Kilin D. Through space and through bridge channels of charge transfer at p-n nano-junctions: A DFT study Chemical Physics. 481: 144-156. DOI: 10.1016/J.Chemphys.2016.09.003  0.715
2016 Huang S, Balasanthiran C, Tretiak S, Hoefelmeyer JD, Kilina SV, Kilin DS. Dynamics of charge at water-to-semiconductor interface: Case study of wet [0 0 1] anatase TiO2 nanowire Chemical Physics. 481: 184-190. DOI: 10.1016/J.Chemphys.2016.08.002  0.801
2015 Han Y, Meng Q, Rasulev B, May PS, Berry MT, Kilin DS. Photofragmentation of the Gas-Phase Lanthanum Isopropylcyclopentadienyl Complex: Computational Modeling vs Experiment. The Journal of Physical Chemistry. A. 119: 10838-48. PMID 26438124 DOI: 10.1021/Acs.Jpca.5B07209  0.672
2015 Kilina S, Kilin D, Tretiak S. Light-Driven and Phonon-Assisted Dynamics in Organic and Semiconductor Nanostructures. Chemical Reviews. 115: 5929-78. PMID 25993511 DOI: 10.1021/Acs.Chemrev.5B00012  0.629
2015 Jensen S, Kilin DS. Electronic properties of nickel-doped TiO₂ anatase. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 27: 134207. PMID 25767110 DOI: 10.1088/0953-8984/27/13/134207  0.757
2015 Vazhappilly T, Kilin DS, Micha DA. Modeling the surface photovoltage of silicon slabs with varying thickness. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 27: 134204. PMID 25767101 DOI: 10.1088/0953-8984/27/13/134204  0.684
2015 Junkman D, Vogel DJ, Han Y, Kilin DS. Ab Initio Analysis of Charge Carrier Dynamics in Organic-Inorganic Lead Halide Perovskite Solar Cells Mrs Proceedings. 1776: 19-29. DOI: 10.1557/Opl.2015.782  0.751
2015 Paulsen RT, Kilin DS. Silver Nanoparticles for Catalysis of Hydrogen Peroxide Decomposition: Atomistic Modeling Mrs Proceedings. 1787: 21-25. DOI: 10.1557/Opl.2015.731  0.306
2015 Meng Q, Chen J, Kilin D. Proton reduction at surface of transition metal nanocatalysts Molecular Simulation. 41: 134-145. DOI: 10.1080/08927022.2014.911871  0.424
2015 Rashwan K, Sereda G, Kilin D. Adsorption patterns of caffeic acid on titania: affinity, charge transfer and sunscreen applications Molecular Physics. 1-11. DOI: 10.1080/00268976.2015.1104392  0.722
2015 Jensen S, Kilin D. Cobalt-doped TiO2: a computational analysis of dopant placement and charge transfer direction on thin film anatase Molecular Physics. DOI: 10.1080/00268976.2015.1094582  0.691
2015 Sapp W, Erck A, Wang Z, Kilin D. Electronic and spectral properties of ametal-organic super container molecule by single point DFT Molecular Physics. DOI: 10.1080/00268976.2015.1076899  0.53
2015 Kryjevski A, Kilin D. Enhanced multiple exciton generation in amorphous silicon nanowires and films Molecular Physics. DOI: 10.1080/00268976.2015.1076580  0.5
2015 Meng Q, May SP, Berry MT, Kilin DS. Time-resolved electronic and optical properties of a thiolate-protected Au38 nanocluster Molecular Physics. 113: 408-417. DOI: 10.1080/00268976.2014.999838  0.53
2015 Vogel DJ, Kilin DS. Electron dynamics of solvated titanium hydroxide Molecular Physics. 113: 397-407. DOI: 10.1080/00268976.2014.999837  0.805
2015 Yao G, Meng Q, Berry MT, May PS, Kilin DS. Molecular dynamics in finding nonadiabatic coupling for β-NaYF4: Ce3+ nanocrystals Molecular Physics. 113: 385-391. DOI: 10.1080/00268976.2014.972475  0.53
2015 Han Y, Micha DA, Kilin DS. Ab initio study of the photocurrent at the Au/Si metal-semiconductor nanointerface Molecular Physics. 113: 327-335. DOI: 10.1080/00268976.2014.944598  0.7
2015 Pillai ST, Fischer T, Clikeman TT, Esbenshade J, Berdanier C, Rohwer H, Jastram M, Kang W, Balasanthiran C, Spanjers CS, Inerbaev T, Kilin DS, Rioux RM, Hoefelmeyer JD. Single Site Metal Ions on the Surface of TiO2 Nanorods - A Platform for Theoretical and Experimental Investigation Acs Symposium Series. 1196: 103-116. DOI: 10.1021/bk-2015-1196.ch004  0.645
2015 Vogel DJ, Kilin DS. First-Principles Treatment of Photoluminescence in Semiconductors Journal of Physical Chemistry C. 119: 27954-27964. DOI: 10.1021/Acs.Jpcc.5B06434  0.785
2015 Kilina S, Kilin D, Tretiak S. Light-Driven and Phonon-Assisted Dynamics in Organic and Semiconductor Nanostructures Chemical Reviews. 115: 5929-5978. DOI: 10.1021/acs.chemrev.5b00012  0.604
2014 Huang S, Kilin DS. Charge Transfer, Luminescence, and Phonon Bottleneck in TiO2 Nanowires Computed by Eigenvectors of Liouville Superoperator. Journal of Chemical Theory and Computation. 10: 3996-4005. PMID 26588543 DOI: 10.1021/Ct5004093  0.591
2014 Huang S, Inerbaev TM, Kilin DS. Excited State Dynamics of Ru10 Cluster Interfacing Anatase TiO2(101) Surface and Liquid Water. The Journal of Physical Chemistry Letters. 5: 2823-9. PMID 26278085 DOI: 10.1021/Jz501221K  0.403
2014 Chen J, Hochstatter AM, Kilin D, May PS, Meng Q, Berry MT. Photofragmentation of Gas-Phase Lanthanide Cyclopentadienyl Complexes: Experimental and Time-Dependent Excited-State Molecular Dynamics. Organometallics. 33: 1574-1586. PMID 24910492 DOI: 10.1021/Om400953Q  0.441
2014 Vogel DJ, Kilin DS. Electron dynamics of solvated Ti(OH)4 Earth and Environmental Science Transactions of the Royal Society of Edinburgh. 1647. DOI: 10.1557/Opl.2014.91  0.804
2014 Huang S, Kilin DS. Anatase TiO2 Nanowires, Thin Films, and Surfaces: Ab initio Studies of Electronic Properties and Non-adiabatic Excited State Dynamics Mrs Proceedings. 1659: 129-134. DOI: 10.1557/Opl.2014.354  0.476
2014 Yao G, Huang S, Berry MT, May PS, Kilin DS. Non-collinear spin DFT for lanthanide ions in doped hexagonal NaYF 4 Molecular Physics. 112: 546-556. DOI: 10.1080/00268976.2013.878045  0.499
2014 Huang S, Kilin DS. Electronic structure and hot carrier relaxation in 001 anatase TiO 2 nanowire Molecular Physics. 112: 539-545. DOI: 10.1080/00268976.2013.854932  0.573
2014 Chen J, Meng Q, Stanley May P, Berry MT, Kilin DS. Time-dependent excited-state molecular dynamics of photodissociation of lanthanide complexes for laser-assisted metal-organic chemical vapour deposition Molecular Physics. 112: 508-517. DOI: 10.1080/00268976.2013.845310  0.489
2014 Han Y, Tretiak S, Kilin D. Dynamics of charge transfer at Au/Si metal-semiconductor nano-interface Molecular Physics. 112: 474-484. DOI: 10.1080/00268976.2013.842007  0.591
2014 Zhang Y, Qiu C, Kilin DS. Electron dynamics in charged wet TiO2 anatase (001) surface functionalised by ruthenium ions Molecular Physics. 112: 441-452. DOI: 10.1080/00268976.2013.836609  0.576
2014 Kryjevski A, Kilin D. Multiple exciton generation in silicon quantum dot arrays: Density functional perturbation theory computation Molecular Physics. 112: 430-440. DOI: 10.1080/00268976.2013.836607  0.491
2014 Mottishaw JD, Kilin D, Cheng HP, Karasiev VV, Fan QH, Sun H. Elucidating the role of non-radiative processes in charge transfer of core-shell Si-SiO2 nanoparticles Molecular Physics. 112: 422-429. DOI: 10.1080/00268976.2013.836606  0.473
2013 Inerbaev T, Hoefelmeyer JD, Kilin DS. Photoinduced Charge Transfer from Titania to Surface Doping Site. The Journal of Physical Chemistry. C, Nanomaterials and Interfaces. 117: 9673-9692. PMID 23795229 DOI: 10.1021/Jp311076W  0.746
2013 Kilina SV, Neukirch AJ, Habenicht BF, Kilin DS, Prezhdo OV. Quantum Zeno effect rationalizes the phonon bottleneck in semiconductor quantum dots. Physical Review Letters. 110: 180404. PMID 23683182 DOI: 10.1103/Physrevlett.110.180404  0.8
2013 Kryjevski A, Kilin D, Kilina S. Spatially non-uniform field response in arrays of silicon quantum dots: DFT computation Ieee International Conference On Electro Information Technology. DOI: 10.1109/EIT.2013.6632698  0.589
2013 Kryjevski A, Kilin D, Kilina S. Amorphous silicon nanomaterials: Quantum dots versus nanowires Journal of Renewable and Sustainable Energy. 5. DOI: 10.1063/1.4817728  0.688
2013 Chen J, Schmitz A, Inerbaev T, Meng Q, Kilina S, Tretiak S, Kilin DS. First-principles study of p-n-doped silicon quantum dots: Charge transfer, energy dissipation, and time-resolved emission Journal of Physical Chemistry Letters. 4: 2906-2913. DOI: 10.1021/Jz400760H  0.727
2013 Yao G, Berry MT, May PS, Kilin D. DFT calculation of russell-saunders splitting for lanthanide ions doped in hexagonal (β)-NaYF4 nanocrystals Journal of Physical Chemistry C. 117: 17177-17185. DOI: 10.1021/Jp404206E  0.481
2013 Chu IH, Kilin DS, Cheng HP. First-principles studies of photoinduced charge transfer in noncovalently functionalized carbon nanotubes Journal of Physical Chemistry C. 117: 17909-17918. DOI: 10.1021/Jp402600M  0.526
2013 Jensen S, Kilin D. Electronic properties of silver doped tio2 anatase (100) surface Acs Symposium Series. 1140: 187-218. DOI: 10.1021/bk-2013-1140.ch008  0.408
2012 Inerbaev TM, Kilin DS, Hoefelmeyer J. Atomistic simulation of dissipative charge carrier dynamics for photocatalysis Materials Research Society Symposium Proceedings. 1390: 187-192. DOI: 10.1557/Opl.2012.851  0.754
2012 Vazhappilly T, Kilin DS, Micha DA. Photoabsorbance and photovoltage of crystalline and amorphous silicon slabs with silver adsorbates Journal of Physical Chemistry C. 116: 25525-25536. DOI: 10.1021/Jp306845G  0.659
2012 Meng Q, Stanley May P, Berry MT, Kilin D. Sequential hydrogen dissociation from a charged Pt 13H 24 cluster modeled by ab initio molecular dynamics International Journal of Quantum Chemistry. 112: 3896-3903. DOI: 10.1002/Qua.24301  0.415
2012 Yao G, Berry MT, Stanley May P, Kilin DS. Optical properties of host material for phosphor computational modeling International Journal of Quantum Chemistry. 112: 3889-3895. DOI: 10.1002/Qua.24292  0.477
2012 Chen J, Schmitz A, Kilin DS. Computational simulation of the p-n doped silicon quantum dot International Journal of Quantum Chemistry. 112: 3879-3888. DOI: 10.1002/Qua.24291  0.544
2012 Jensen S, Kilin D. Anatase (100) thin film surface computational model for photoelectrochemical cell International Journal of Quantum Chemistry. 112: 3874-3878. DOI: 10.1002/Qua.24290  0.714
2012 Zhang Y, Kilin DS. Computational modeling of wet TiO 2 (001) anatase surfaces functionalized by transition metal doping International Journal of Quantum Chemistry. 112: 3867-3873. DOI: 10.1002/Qua.24289  0.51
2012 Ramirez JJ, Kilin DS, Micha DA. Electronic structure and optical absorbance of doped amorphous silicon slabs International Journal of Quantum Chemistry. 112: 300-313. DOI: 10.1002/Qua.23228  0.635
2011 Kilina SV, Kilin DS, Prezhdo VV, Prezhdo OV. Theoretical study of electron-phonon relaxation in PbSe and CdSe quantum dots: Evidence for phonon memory Journal of Physical Chemistry C. 115: 21641-21651. DOI: 10.1021/Jp206594E  0.775
2011 Mavros MG, Micha DA, Kilin DS. Optical properties of doped silicon quantum dots with crystalline and amorphous structures Journal of Physical Chemistry C. 115: 19529-19537. DOI: 10.1021/Jp2055798  0.674
2011 Hoefelmeyer J, Kilin D. Effect of RuO 2 catalyst on dissipative electron dynamics in titanium dioxide Acs National Meeting Book of Abstracts 0.669
2010 Leathers AS, Micha DA, Kilin DS. Direct and indirect electron transfer at a semiconductor surface with an adsorbate: theory and application to Ag3Si(111):H. The Journal of Chemical Physics. 132: 114702. PMID 20331311 DOI: 10.1063/1.3359433  0.825
2010 Kilin DS, Micha DA. Relaxation of photoexcited electrons at a nanostructured Si(111) surface Journal of Physical Chemistry Letters. 1: 1073-1077. DOI: 10.1021/Jz100122F  0.691
2010 Kilin DS, Micha DA. Modeling the Photovoltage of Doped Si Surfaces The Journal of Physical Chemistry C. 115: 770-775. DOI: 10.1021/Jp110756U  0.674
2010 Arlund D, Micha DA, Kilin DS. Computational studies of the optical properties of silicon compounds bonding to silver atoms and with Group III and v substituents International Journal of Quantum Chemistry. 110: 3086-3094. DOI: 10.1002/Qua.22915  0.652
2010 Lajoie TW, Ramirez JJ, Kilin DS, Micha DA. Optical properties of amorphous and crystalline silicon surfaces functionalized with Agn adsorbates International Journal of Quantum Chemistry. 110: 3005-3014. DOI: 10.1002/Qua.22906  0.682
2009 Leathers AS, Micha DA, Kilin DS. Density matrix treatment of combined instantaneous and delayed dissipation for an electronically excited adsorbate on a solid surface. The Journal of Chemical Physics. 131: 144106. PMID 19831432 DOI: 10.1063/1.3246168  0.818
2009 Kilin DS, Tsemekhman KL, Kilina SV, Balatsky AV, Prezhdo OV. Photoinduced conductivity of a porphyrin-gold composite nanowire. The Journal of Physical Chemistry. A. 113: 4549-56. PMID 19278216 DOI: 10.1021/Jp811169C  0.732
2009 Kilina SV, Kilin DS, Prezhdo OV. Breaking the phonon bottleneck in PbSe and CdSe quantum dots: time-domain density functional theory of charge carrier relaxation. Acs Nano. 3: 93-9. PMID 19206254 DOI: 10.1021/Nn800674N  0.776
2009 Obara CJ, Kilin DS, Micha DA. Electronic confinement effects and optical properties of multilayer slabs of silicon: Numerical model studies Proceedings of Spie - the International Society For Optical Engineering. 7396. DOI: 10.1117/12.828179  0.698
2009 Kilin DS, Micha DA. Surface photovoltage at nanostructures on si surfaces: Ab initio results Journal of Physical Chemistry C. 113: 3530-3542. DOI: 10.1021/Jp808908X  0.614
2009 Ramirez JJ, Kilin DS, Micha DA. Optical properties of the Si(111):H surface with adsorbed Ag clusters International Journal of Quantum Chemistry. 109: 3694-3704. DOI: 10.1002/Qua.22436  0.676
2008 Kilin DS, Micha DA. Atomic modeling of surface photovoltage: Application to Si(1 1 1):H Chemical Physics Letters. 461: 266-270. DOI: 10.1016/J.Cplett.2008.07.031  0.66
2008 Kilin DS, Prezhdo OV, Xia Y. Shape-controlled synthesis of silver nanoparticles: Ab initio study of preferential surface coordination with citric acid Chemical Physics Letters. 458: 113-116. DOI: 10.1016/J.Cplett.2008.04.046  0.523
2007 Kilin DS, Prezhdo OV, Schreiber M. Photoinduced vibrational coherence transfer in molecular dimers. The Journal of Physical Chemistry. A. 111: 10212-9. PMID 17850116 DOI: 10.1021/Jp0709050  0.697
2007 Kilina SV, Craig CF, Kilin DS, Prezhdo OV. Ab initio time-domain study of phonon-assisted relaxation of charge carriers in a PbSe quantum dot Journal of Physical Chemistry C. 111: 4871-4878. DOI: 10.1021/Jp0669052  0.834
2007 Kilin DS, Tsemekhman K, Prezhdo OV, Zenkevich EI, von Borczyskowski C. Ab initio study of exciton transfer dynamics from a core-shell semiconductor quantum dot to a porphyrin-sensitizer Journal of Photochemistry and Photobiology a: Chemistry. 190: 342-351. DOI: 10.1016/J.Jphotochem.2007.02.017  0.664
2004 Kilin DS, Pereversev YV, Prezhdo OV. Electron-nuclear correlations for photo-induced dynamics in molecular dimers. The Journal of Chemical Physics. 120: 11209-23. PMID 15268151 DOI: 10.1063/1.1737304  0.63
2003 Cina JA, Kilin DS, Humble TS. Wave packet interferometry for short-time electronic energy transfer: Multidimensional optical spectroscopy in the time domain Journal of Chemical Physics. 118: 46-61. DOI: 10.1063/1.1519259  0.777
2003 Kilin D, Cina JA. Wavepacket interferometry for energy transfer: Ultrafast 2D electronic spectroscopy Springer Series in Chemical Physics. 71: 505-507.  0.653
2001 Zenkevich EI, Willert A, Bachilo SM, Rempel U, Kilin DS, Shulga AM, Von Borczyskowski C. Competition between electron transfer and energy migration in self-assembled porphyrin triads Materials Science and Engineering C. 18: 99-111. DOI: 10.1016/S0928-4931(01)00376-9  0.525
2000 Kilin D, Kleinekathöfer U, Schreiber M. Electron transfer in porphyrin complexes in different solvents Journal of Physical Chemistry A. 104: 5413-5421. DOI: 10.1021/Jp994338V  0.588
2000 Kilin D, Schreiber M. Decoherence for phase-sensitive relaxation Journal of Luminescence. 92: 13-25. DOI: 10.1016/S0022-2313(00)00247-7  0.549
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