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English
Oxford University Press Inc
10 June 2021
Photochemical reactions and the underlying photophysical principles play key roles in the rational design of efficient systems for energy conversion and storage. This volume on interfaces contains fundamental theory, computational models, and applications for real materials. Edited by experts with a deep knowledge of the community, the volume will be useful to computational chemists, materials scientists, physical chemists, and especially those working in energy and nanomaterials.

Edited by:   , , , , , , , ,
Other:  
Imprint:   Oxford University Press Inc
Country of Publication:   United States
Dimensions:   Height: 260mm,  Width: 183mm,  Spine: 28mm
Weight:   1.040kg
ISBN:   9780841235540
ISBN 10:   0841235546
Series:   ACS Symposium Series
Pages:   368
Publication Date:  
Audience:   Professional and scholarly ,  Undergraduate
Format:   Hardback
Publisher's Status:   Active
Preface Chapter 1. Spin-Unrestricted and Spinor Nonradiative Relaxation Dynamics in Functionalized Semiconductors, Talgat Inerbaev, Aaron Forde, Stephanie J. Jensen, and Dmitri Kilin Chapter 2. Electronic Structure and Excited State Dynamics of TiO2 Nanowires, Shuping Huang, Yuruo Hua, and Dimitri S. Kilin Chapter 3. Optical Properties of the TiO2(110) Surface with Adsorbed Ag Atoms Relevant to Photocatalysis and Photovoltaics, Tijo Vazhappilly and David A. Micha Chapter 4. Computational Simulation of Trapped Charge Carriers in TiO2 and Their Impacts on Photocatalytic Water Splitting, Dong Wang, Fei Li, Jian-Fu Chen, Hai-Feng Wang, Xiao-Ming Cao, Peijun Hu, and Xue-Qing Gong Chapter 5. Time-Domain ab Initio Studies of Excited State Dynamics at Nanoscale Interfaces, Brendan Barrow and Dhara J. Trivedi Chapter 6. Phonon-Mediated Ultrafast Hole Transfer from Photoexcited CdSe Quantum Dots to Black Dye, Peng Cui, Mohammed Jabed, Dayton J. Vogel, and Svetlana Kilina Chapter 7. Comprehensive Study of Multiple Exciton Generation in Chiral Carbon Nanotubes Using Many-Body Perturbation Theory Based on Density Functional Theory Simulations, Andrei Kryjevski Chapter 8. Functionalized Carbon Nanotube Excited States and Optical Properties, Brendan J. Gifford Chapter 9. Understanding the Electrochemical Reduction of Carbon Dioxide at Copper Surfaces, Dan Ren, Jing Gao, and Michael Gratzel Chapter 10. Effect of Competitive Adsorption at the Interface between Aqueous Electrolyte and Solid Electrode, Henrik H. Kristoffersen and Jin Hyun Chang Chapter 11. Atomistic Simulations of Plasmon Mediated Photochemistry, Yu Zhang, Tammie Nelson, and Sergei Tretiak Chapter 12. Modeling of Photooxidative Degradation of Aromatics in Water Matrix: A Quantitative Structure?Property Relationship Approach, Bakhtiyor Rasulev, Ana Loncaric Bozic, Dionysios D. Dionysiou, and Hrvoje Kusic Chapter 13. Physical Properties of Conjugated Nanopore Materials, Artem Pimachev, Robert D. Nielsen, Anri Karanovich, Vitaly Proshchenko, and Yuri Dahnovsky Chapter 14. Photo-induced Charge Separation and Photoredox Catalysis in Cerium-Based Metal-Organic Frameworks, Xin-Ping Wu and Donald G. Truhlar Chapter 15. Excited State Electronic Structure of Single-Site Vanadium Oxide Photocatalysts Supported on Mesoporous Silica, Clint N. Evrard, Andrew D. Mahler, and Lee M. Thompson Editors' Biographies Author Index Subject Index

Dmitri Kilin is an Assistant Professor of Computational Chemistry at North Dakota State University and holds an adjunct faculty position at University of South Dakota. Kilin has over 15 years of experience in modeling excited state dynamics in photoactive nanomaterials, including interfacial charge transfer and reaction dynamics, surface reactions at catalytic sites, and interfaces of metal and semiconductor nanomaterials for photovoltaic and photocatalytic solar energy conversion. Kilin has published approximately 100 peer-reviewed manuscripts in the area of excited state dynamics. Recently, he organized and co-organized several symposia at the American Chemical Society national meetings, Telluride Science Research Center, and Pacifichem Congress. Kilin completed his B.S. degree (1994) and M.S. degree (1996) in physics at Belarusian State University, (Minsk, Belarus) and received his doctoral degree from Chemnitz University of Technology, (Chemnitz, Germany) in Prof. Michael Schreiber's group in 2000. Svetlana Kilina received her undergraduate education (1994) and M.S. degree in physics (1996) at Belarusian State University (Minsk, Belarus). Her research interests were further shaped during her Ph.D. studies in chemistry at the University of Washington, Seattle (2003-2007). In January 2008, after she completed her Ph.D., she was awarded the Director's Postdoctoral Fellowship and worked at Los Alamos National Laboratory under the supervision of Dr. Sergei Tretiak. In August 2010 she was appointed as a faculty member in the Chemistry and Biochemistry Department at North Dakota State University (NDSU) and in 2016 was promoted to associate professor. Kilina is the recipient of an Early Career Research Award from the Department of Energy (2012) and a Sloan Foundations Award (2014). In 2017 she was awarded the James A. Meier Associate Professorship by NDSU College of Mathematics and Science. Her current research is on the frontiers of modern quantum chemistry and nanoscale material science with a particular focus on inorganic?organic interfaces in novel hybrid, functionalized nanomaterials. Yulun Han is currently a postdoctoral researcher at North Dakota State University working with Dmitri Kilin. He received his B.S. in Applied Chemistry from Donghua University in 2009. In 2010 he moved to the United States where he later received his M.S. in Chemistry in 2013 and Ph.D. in Materials Chemistry in 2015 from the University of South Dakota under the supervision of Prof. Mary T. Berry. His research interests include modeling optical properties of nanomaterials as well as experimental and computational investigation of photochemical reactions.

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