图书简介
This volume covers photoinduced processes for energy harvesting and storage.
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
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