Computational Photocatalysis: Modeling of Photophysics and Photochemistry at Interfaces
eBook - PDF

Computational Photocatalysis: Modeling of Photophysics and Photochemistry at Interfaces

  1. 369 pages
  2. English
  3. PDF
  4. Available on iOS & Android
eBook - PDF

Computational Photocatalysis: Modeling of Photophysics and Photochemistry at Interfaces

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Information

Publisher
American Chemical Society
Year
2019
eBook ISBN
9780841235533
Print ISBN
9780841235533

Table of contents

  1. Computational Photocatalysis: Modeling of Photophysics and Photochemistry at Interfaces
  2. ACS Symposium Series1331
  3. Foreword
  4. Preface
  5. Spin-Unrestricted and Spinor Nonradiative Relaxation Dynamics in Functionalized Semiconductors
  6. Electronic Structure and Excited State Dynamics of TiO2 Nanowires
  7. Optical Properties of the TiO2(110) Surface with Adsorbed Ag Atoms Relevant to Photocatalysis and Photovoltaics
  8. Computational Simulation of Trapped Charge Carriers in TiO2 and Their Impacts on Photocatalytic Water Splitting
  9. Time-Domain ab Initio Studies of Excited State Dynamics at Nanoscale Interfaces
  10. Phonon-Mediated Ultrafast Hole Transfer from Photoexcited CdSe Quantum Dots to Black Dye
  11. Comprehensive Study of Multiple Exciton Generation in Chiral Carbon Nanotubes Using Many-Body Perturbation Theory Based on Density Functional Theory Simulations
  12. Functionalized Carbon Nanotube Excited States and Optical Properties
  13. Understanding the Electrochemical Reduction of Carbon Dioxide at Copper Surfaces
  14. Effect of Competitive Adsorption at the Interface between Aqueous Electrolyte and Solid Electrode
  15. Atomistic Simulations of Plasmon Mediated Photochemistry
  16. Modeling of Photooxidative Degradation of Aromatics in Water Matrix: A Quantitative Structureāˆ’Property Relationship Approach
  17. Physical Properties of Conjugated Nanopore Materials
  18. Photo-induced Charge Separation and Photoredox Catalysis in Cerium-Based Metalā€“Organic Frameworks
  19. Excited State Electronic Structure of Single-Site Vanadium Oxide Photocatalysts Supported on Mesoporous Silica
  20. Editorsā€™ Biographies
  21. Indexes
  22. Author Index
  23. Subject Index
  24. Preface
  25. Spin-Unrestricted and Spinor Nonradiative Relaxation Dynamics in Functionalized Semiconductors
  26. Electronic Structure and Excited State Dynamics of TiO2 Nanowires
  27. Optical Properties of the TiO2(110) Surface with Adsorbed Ag Atoms Relevant to Photocatalysis and Photovoltaics
  28. Computational Simulation of Trapped Charge Carriers in TiO2 and Their Impacts on Photocatalytic Water Splitting
  29. Time-Domain ab Initio Studies of Excited State Dynamics at Nanoscale Interfaces
  30. Phonon-Mediated Ultrafast Hole Transfer from Photoexcited CdSe Quantum Dots to Black Dye
  31. Comprehensive Study of Multiple Exciton Generation in Chiral Carbon Nanotubes Using Many-Body Perturbation Theory Based on Density Functional Theory Simulations
  32. Functionalized Carbon Nanotube Excited States and Optical Properties
  33. Understanding the Electrochemical Reduction of Carbon Dioxide at Copper Surfaces
  34. Effect of Competitive Adsorption at the Interface between Aqueous Electrolyte and Solid Electrode
  35. Atomistic Simulations of Plasmon Mediated Photochemistry
  36. Modeling of Photooxidative Degradation of Aromatics in Water Matrix: A Quantitative Structureāˆ’Property Relationship Approach
  37. Physical Properties of Conjugated Nanopore Materials
  38. Photo-induced Charge Separation and Photoredox Catalysis in Cerium-Based Metalā€“Organic Frameworks
  39. Excited State Electronic Structure of Single-Site Vanadium Oxide Photocatalysts Supported on Mesoporous Silica
  40. Editorsā€™ Biographies
  41. Indexes
  42. Author Index
  43. Subject Index