College of Arts & Sciences Chemistry

Dmitri Kilin

Dmitri Kilin
Assistant Professor
Chemistry, College of Arts & Sciences
UPL Pardee Laboratory 201
Phone: 605-677-7283
Bio:
Postdoctoral Associate 2000-2002, University of Oregon, 2003-2006 University of Washington, 2007-2010, University of Florida, At University of South Dakota since 2010
Teaching Interests:
The grand objective of Advanced Physical Chemistry 744 & 792 courses is to enhance a connection between experimental and theoretical approaches to quantum chemistry. In these courses, the graduate students obtain training in theoretical and computational methods so that, in their future career, they realize what they can get from and provide to their collaborators. The class material is focused on time resolved issues of quantum theory as a background allowing to interpret or to predict an outcome of a measurement. As a part of the course, students complete independent research project publicly advertize their results through YouTube videos. There are good reasons to believe that the knowledge, skills, acquired methods, and insights obtained in this course will help Chemistry graduate students in their studies, research, and future career.
Research Interests:
Dynamics of Excited States in Nanomaterials, Theory and Computation of Quantum Dissipation. Our research targets better understanding of photo-excited processes in broader range of materials with higher precision. The goal is pursued by computational modeling of ab initio dynamics of excited electronic states at interfaces of semiconductor and metallic nano-structures, related to renewable energy applications: photovoltaics and photocatalysis. The benefit of calculations based on electronic structure and density matrix methods is a computationally assisted design of efficient photo-active energy materials. http://youtu.be/a_IQsdEvtsg
Education:
  • Ph D, Physics, Chemnitz University of Technology, 2000
  • MS, Physics, Belarus State University, 1996
Publications:
  • Kilina, S., Kilin, D., Prezhdo, O., Prezhdo, V., Theoretical Study of Electron–Phonon Relaxation in PbSe and CdSe Quantum Dots: Evidence for Phonon Memory, vol. 115, iss. (44), p. 21641–21651. (DOI: DOI: 10.1021/jp206594e)
  • Han, Y., Tretiak, S., Kilin, D., (2014), Dynamics of Charge Transfer at Au/Si Metal-semiconductor Nano-interface , Molecular Physics, vol. 112, iss. 03-04, pp. 474 - 484. (DOI: 10.1080/00268976.2013.842007)
  • Huang, S., Kilin, D., (2014), Electronic structure and hot carrier relaxation in <001> anatase TiO2 nanowire , Molecular Physics, vol. 112, iss. 03-04, pp. 539 - 545. (DOI: 10.1080/00268976.2013.854932)
  • Zhang, Y., Qiu, C., Kilin, D., (2014), Electrons Dynamics in Charged Wet TiO2 Anatase (001) Surface Functionalized by Ruthenium Ions , Molecular Physics, vol. 112, iss. 03-04, pp. 441-452. (DOI: 10.1080/00268976.2013.836609)
  • Mottishaw, J., Cheng, H., Karasiev, V., Fan, Q., Sun, H., Kilin, D., (2014), Elucidating the role of non-radiative processes in charge transfer of model core-shell Si:SiO2 nanoparticles , Molecular Physics, vol. 112, iss. 03-04, pp. 422-429. (DOI: 10.1080/00268976.2013.836606)
  • Kryjevski, A., Kilin, D., (2014), Multiple Exciton Generation in Silicon Quantum Dot Arrays: Density Functional Perturbation Theory Computation, Molecular Physics, vol. 112, iss. 03-04, pp. 430-440. (DOI: 10.1080/00268976.2013.836607)
  • Yao, G., Huang, S., Berry, M., May, S., Kilin, D., (2014), Non-collinear spin DFT for Lanthanide Ions in Doped Hexagonal- NaYF4, Molecular Physics, vol. 112, iss. 03-04, pp. 546 - 556. (DOI: 10.1080/00268976.2013.878045)
  • Chen, J., Meng, Q., Berry, M., May, S., Kilin, D., (2014), Time-Dependent Excited-State Molecular Dynamics of Photodissociation of Lanthanide Complexes for Laser-Assisted Metal-Organic Chemical Vapor Deposition , Molecular Physics, vol. 112, iss. 03-04, pp. 508 - 517. (DOI: 10.1080/00268976.2013.845310)
  • Chen, J., Schmitz, A., Inerbaev, T., Meng, Q., Kilina, S., Tretiak, S., Kilin, D., (2013), First-Principles Study of p-n-Doped Silicon Quantum Dots: Charge Transfer, Energy Dissipation, and Time-Resolved Emission, J. Phys. Chem. Lett., vol. 4, p. 2906–2913. (DOI: 10.1021/jz400760h)
  • Yao, G., Berry, M., May, S., Kilin, D., (2013), DFT Calculation of Russell–Saunders Splitting for Lanthanide Ions Doped in Hexagonal (ß)-NaYF4 Nanocrystals, J. Phys. Chem. C, vol. 117, iss. 33, p. 17177–17185. (DOI: 10.1021/jp404206e)
  • Chu, I., Kilin, D., Cheng, H., (2013), First-Principles Studies of Photoinduced Charge Transfer in Noncovalently Functionalized Carbon Nanotubes, J. Phys. Chem. C, vol. 117, iss. 35, p. 17909–17918. (DOI: 10.1021/jp402600m)
  • Meng, Q., Yao, G., Kilin, D., (2013), Anions vs. Cations of Pt13H24 Cluster Models: Ab Initio Molecular Dynamics Investigation of Electronic Properties and Photocatalytic Activity, American Chemical Society Symposium Series, vol. 1140, p. 173–185. (DOI: 10.1021/bk-2013-1140.ch007)
  • Jensen, S., Kilin, D., (2013), Electronic Properties of Silver Doped TiO2 Anatase (100) Surface, American Chemical Society Symposium Series, vol. 1140, p. 187–218. (DOI: 10.1021/bk-2013-1140.ch008)
  • Kryjevski, A., Kilin, D., Kilina, S., (2013), Amorphous silicon nanomaterials: Quantum dots versus nanowires, Journal of Renewable ans Sustainable Energy, vol. 5, iss. 4, pp. 043120-16. (DOI: 10.1063/1.4817728)
  • Kilina, S. V., Neukirch, A. J., Habenicht, B. F., Kilin, D., Prezhdo, O. V., (2013), Quantum Zeno Effect Rationalizes the Phonon Bottleneck in Semiconductor Quantum Dots, Physical Review Letters, vol. 110, p. 180404. (DOI: 10.1103/PhysRevLett.110.180404)
  • Inerbaev, T., Hoefelmeyer, J., Kilin, D., (2013), Photoinduced Charge Transfer From Titania to Surface Doping Site, Journal of Physical Chemistry C, American Chemical Society, vol. 117, iss. 19, p. 9673–9692. (DOI: 10.1021/jp311076w)
  • Inerbaev, T., Hoefelmeyer, J., Kilin, D., (2013), Photoinduced Charge Transfer From Titania to Surface Doping Site, Journal of Physical Chemistry C, American Chemical Society. (DOI: 10.1021/jp311076w)
  • Inerbaev, T. M., Kilin, D., Hoefelmeyer, J., (2012), Atomistic simulation of dissipative charge carrier dynamics for photocatalysis, MRS Proceedings, vol. 1390. (DOI: 10.1557/opl.2012.851)
  • Meng, Q., May, P., Berry, M. T., Kilin, D., (2012), Sequential hydrogen dissociation from a charged Pt13H24 cluster modeled by ab initio molecular dynamics, International Journal of Quantum Chemistry, vol. 112, iss. 24, p. 3896–3903. (DOI: 10.1002/qua.24301)
  • Jensen, S., Kilin, D., (2012), Anatase (100) thin film surface computational model for photoelectrochemical cell, International Journal of Quantum Chemistry, vol. 112, iss. 24, p. 3874–3878. (DOI: 10.1002/qua.24290)
  • Chen, J., Schmitz, A., Kilin, D., (2012), Computational simulation of the p-n doped silicon quantum dot, International Journal of Quantum Chemistry, vol. 112, iss. 24, p. 3879–3888. (DOI: 10.1002/qua.24291)
  • Yao, G., Berry, M. T., May, P., Kilin, D., (2012), Optical properties of host material for phosphor computational modeling, International Journal of Quantum Chemistry, vol. 112, iss. 24, p. 3889–3895. (DOI: 10.1002/qua.24292)
  • Zhang, Y., Kilin, D., (2012), Computational modeling of wet TiO2 (001) anatase surfaces functionalized by transition metal doping, International Journal of Quantum Chemistry, vol. 112, iss. 24, p. 3867–3873. (DOI: 10.1002/qua.24289)
  • Vazhappilly, T. J., Kilin, D., Micha, D. A., (2012), Photoabsorbance and Photovoltage of Crystalline and Amorphous Silicon Slabs with Silver Adsorbates, Journal of Physical Chemistry C, vol. 116, iss. 48, pp. 25525-25536. (DOI: 10.1021/jp306845g)
  • Meng, Q., May, S., Berry, M., Kilin, D., (2012), Sequential hydrogen dissociation from a charged Pt13H24 cluster modeled by ab initio molecular dynamics, International Journal of Quantum Chemistry.
  • Yao, G., Berry, M., May, S., Kilin, D., (2012), Optical properties of host material for phosphor computational modeling, International Journal of Quantum Chemistry.
  • Mavros, M., Micha, D., Kilin, D., (2011), Optical Properties of Doped Silicon Quantum Dots with Crystalline and Amorphous Structures, Journal of Physical Chemistry C, vol. 115, iss. 40, p. 19529–19537. (DOI: DOI: 10.1021/jp2055798)
  • Ramirez, J. J., Kilin, D., Micha, D. A., (2011), Electronic structure and optical absorbance of doped amorphous silicon slabs, International Journal of Quantum Chemistry, vol. 112, iss. 1, p. 300–313. (DOI: DOI 10.1002/qua.23228)
  • Kilin, D., Micha, D. A., (2011), Modeling the Photovoltage of Doped Si Surfaces , Journal of Physical Chemistry C, vol. 115, pp. 770-775. (DOI: 10.1021/jp110756u)
  • LaJoie, T., Ramirez, J., Kilin, D., Micha, D., (2010), Optical Properties of Amorphous and Crystalline Silicon Surfaces Functionalized with Ag-n Adsorbates, Int. J. Quantum Chemistry, vol. 110, pp. 3005-3014 . (DOI: 10.1002/qua.22906)
  • Kilin, D., Tsemekhman, K. L., Prezhdo, O. V., Zenkevich, E. I., von Borczyskowski, C., (2007), 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, vol. 190, iss. 2-3, pp. 342-351.
Presentations:
  • Dayton, V., Sereda, G., Kilin, D. (2014, May). Molecular and Electron Dynamics of Novel Porphyrin-Quinone Conjugates. Presented at the Gordon Research Conference, Lucca, Italy, May 4-9, 2014.
  • Sereda, G., Telleria, C., Kilin, D. (2014, May). The role of intramolecular energy flow in phototoxicity of porphyrin-quinone conjugates: Experimental and TDDFT computational study. Presented at the Gordon Research Conference, Lucca, Italy, May 4-9, 2014.
  • Zhang, Y., Qiu, C., Kilin, D. (2013, December). GG8.07 Electron Dynamics in Charged Wet TiO2 Anatase (001) Surface Functionalized by Ruthenium Ions. Presented at the MRS National Fall Meeting , Boston, MA.
  • Chu, I., Cheng, H., Kilin, D. (2013, December). Hot Carriers Relaxation in Noncovalently Functionalized Zigzag Carbon Nanotubes . Presented at the MRS National Fall Meeting , Boston, MA.
  • Chu, I., Cheng, H., Kilin, D. (2013, September). COMP290 First-principles studies of photoinduced charge transfer in functionalized carbon nanotubes . Presented at the ACS 246th National Meeting, Indianapolis, Indianapolis.
  • Kryjevski, A., Kilina, S., Kilin, D. (2013, September). COMP182 - Photoexcitations in arrays of semiconductor quantum dots: DFT computation . Presented at the ACS 246th National Meeting, Indianapolis, Indianapolis.
  • Huang, S., Kilin, D. (2013, September). COMP209 First-principles studies of photoinduced charge transfer in functionalized carbon nanotubes . Presented at the ACS 246th National Meeting, Indianapolis, Indianapolis.
  • Inerbaev, T., Hoefelmeyer, J., Kilin, D. (2013, September). COMP118 - Effect of doping on thermodynamic stability and electronic properties of bulk and nanotitania . Presented at the ACS 246th National Meeting, Indianapolis, Indianapolis.
  • Kutana, A., Kilin, D. (2013, September). COMP122 - Charge dissipation in doped quantum dot . Presented at the ACS 246th National Meeting, Indianapolis, Indianapolis.
  • Jensen, S., Zhang, Y., Meng, Q., Hoefelmeyer, J., Inerbaev, T., Kilin, D. (2013, April). PHYS450 Pathways of photoexcited dynamics at functionalized TiO2 surfaces . Presented at the ACS 245th National Meeting, New Orleans, , New Orleans.
  • Kilin, D. (2012, November). Presented at the Quantum Theory Project seminar, Department of Chemistry, , Gainesville, Florida.
  • Kilin, D. (2012, October). Dynamics of Charge Transfer at semiconductor surface/interfaces. Presented at the Materials Design, 2012 Users Group Meeting, San Francisco, CA, San Francisco, CA.
  • Jensen, S., Kilin, D. (2012, August). COMP336 Computational approaches to modeling of TiO2 thin film photoelectrochemical cell. Presented at the ACS 244th National Meeting, Philadelphia, , Philadelphia, PA.
  • Zhang, Y., Kilin, D. (2012, August). COMP340 Computational modeling of TiO2 (001) anatase surfaces functionalized by transition metal doping. Presented at the ACS 244th National Meeting, Philadelphia, , Philadelphia, PA.
  • Qingguo, M., Berry, M., May, S., Kilin, D. (2012, August). COMP417 Electronic structure of Pt13H24 cluster and its surface chemistry. Presented at the ACS 244th National Meeting, Philadelphia, , Philadelphia, PA.
  • Kilin, D. (2012, August). ENFL- 488, ENFL-490, ENFL-434, ENFL-571, ENFL-608, ENFL-638, PHYS-452, PHYS-529. Presented at the ACS 244th National Meeting, Philadelphia, , Philadelphia, PA.
  • Yao, G., Berry, M., May, S., Kilin, D. (2012, August). COMP14 Computational modeling of optical properties of lanthanide ions doped hexagon beta-NaYF4 nanocrystals for laser spectroscopy. Presented at the ACS 244th National Meeting, Philadelphia, , Philadelphia, PA.
  • Chen, J., Schmitz, A., Kilin, D. (2012, August). COMP16 p-n Doped silicon quantum dot. Presented at the ACS 244th National Meeting, Philadelphia, , Philadelphia, PA.
  • Kutana, A., Kilin, D. (2012, August). COMP92 Calculations of electronic relaxation times in semiconductor nanocrystals. Presented at the ACS 244th National Meeting, Philadelphia, , Philadelphia, PA.
  • Kilin, D., Tretiak, S. (2012, August). COMP17 Anisotropy of exciton localizations in silicon nanowires. Presented at the ACS 244th National Meeting, Philadelphia, PA, Philadelphia, PA.
  • Kilin, D. (2012, August). Excitons in Silicon Nanowires. Presented at the T1-group Los Alamos National Lab Seminar, Los Alamos, New Mexico, Los Alamos, NM.
  • Kilin, D. (2012, July). Presented at the Telluride Summer School in Theoretical Chemistry, Telluride, CO, Telluride, CO.
  • Hoefelmeyer, J., Shende, R., Smirnova, A., Puszynski, J., Fong, H., Ahrenkiel, P., Koodali, R., Sereda, G., Kilin, D., Sun, H., Wang, Z., He, H. (2012, April). South Dakota Catalysis Group 12-80. Presented at the 97th Annual Meeting of the South Dakota Academy of Science, Vermillion, SD.
  • Kilin, D., Inerbaev, T., Hoefelmeyer, J. (2012, February). Atomistic Simulation of Charge Transfer at Functionalized Semiconductor Surfaces. Presented at the QTP 52nd Sanibel Symposium, St. Simon Island, Georgia, St. Simon Island, Georgia.
  • Kilin, D. (2011, December). Open challenges:functional of relaxation? Sharing ideas and unresolved questions. Presented at the Department of Mathematical Sciences Seminar, Vermillion, SD.
  • Kilin, D., Hoefelmeyer, J., Inerbaev, T. (2011, November). ATOMISTIC SIMULATION OF DISSIPATIVE CHARGE CARRIER DYNAMICS FOR PHOTOCATALYSIS. Presented at the MRS National Fall Meeting , Boston, MA.
  • Kilin, D. (2011, September). Atomistic simulation of charge transfer at photoexcited semiconductor surfaces. Presented at the Depatrment of Physics Colloquium, Laramie, WY.
  • Kilin, D. (2011, September). Atomistic simulation of charge transfer at photoexcited semiconductor surfaces. Presented at the Department of Chemistry Seminar, Vermillion, SD.
  • Kilin, D. (2011, September). Atomistic Simulation of Charge Transfer at Semiconductor Surfaces. Presented at the Depatrment of Physics Colloquium, Grand Forks, ND.
  • Kilin, D., Chu, I., Cheng, H. (2011, August). COMP 258 - Photoinduced charge transfer in functionalized nanostructures . Presented at the ACS Natl Meeting 242, Denver, Colorado.
  • Kilin, D., Kutana, A., Erwin, S. (2011, August). COMP 131 - Density matrix theorystudy of the dynamics of excited carriers in lead chalcogenidenanocrystals and nanowires . Presented at the ACS Natl Meeting 242, Denver, Colorado.
  • Kilin, D., , (2011, August). COMP 135 - Some properties of nanoparticles in time dependent electric field. Presented at the ACS Natl Meeting 242, Denver, Colorado.
  • Kilin, D., Inerbaev, T., Hoefelmeyer, J. (2011, August). FUEL 233 - Effect of RuO2 catalyst on dissipative electron dynamics in titanium dioxide . Presented at the ACS Natl Meeting 242, Denver, Colorado.
  • Kilin, D., Mikhaylov, I. (2011, August). AEI 58 - Simulaton of excited state dynamics . Presented at the ACS Natl Meeting 242, Denver, Colorado.
  • Kilin, D., Inerbaev, T., Hoefelmeyer, J. (2011, August). COMP 42 - Photo-induced nonequilibrium dissipative electron dynamics in TiO2 nanorod with RuO2 nanocatalyst. Presented at the ACS Natl Meeting 242, Denver, Colorado.
  • Kilin, D., Hoefelmeyer, J., Inerbaev, T. (2011, July). Charge Transfer at Interfaces (poster). Presented at the OP / ESP 2011: Optical Probes -Excited State Properties, Santa Fe, NM.
  • Kilin, D., Inerbaev, T., Hoefelmeyer, J. (2011, July). Photoexcitations of metal-semiconductor interfaces: dynamical aspects. Presented at the Telluride: Nonequilibrium Phenomena, Nonadiabatic Dynamics and Spectroscopy, Telluride Colorado.
  • Kilin, D., Inerbaev, T., Kutana, A. (2011, March). COLL 470 - Efficient charge separation on interfaces of photovoltaic nanomaterials: Ab initio results . Presented at the ACS Natl Meeting 241, Anaheim, CA.
  • Kilin, D., Karasiev, V., Cheng, H. (2011, March). INOR 1053 - Optical properties of Si/SiO2 interfaces . Presented at the ACS Natl Meeting 241, Anaheim, CA.
  • Kilin, D., Jessica, R., David, M. (2011, March). PHYS 141 - Electronic relaxation at photoexcited crystalline and amorphous Si surfaces: Adsorbate and dopant effects . Presented at the ACS Natl Meeting 241, Anaheim, CA.