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Excited State Dynamics in Dual-Defects Modified Graphitic Carbon Nitride

Journal Article · · Journal of Physical Chemistry Letters
 [1];  [1];  [2]
  1. Department of Chemistry, University of Southern California, Los Angeles, California 90089, United States
  2. Department of Chemistry, University of Southern California, Los Angeles, California 90089, United States; Department of Physics and Astronomy, University of Southern California, Los Angeles, California 90089, United States

Not provided.

Research Organization:
Univ. of Southern California, Los Angeles, CA (United States)
Sponsoring Organization:
USDOE Office of Science (SC)
DOE Contract Number:
SC0014429
OSTI ID:
1978101
Journal Information:
Journal of Physical Chemistry Letters, Vol. 13, Issue 4; ISSN 1948-7185
Publisher:
American Chemical Society
Country of Publication:
United States
Language:
English

References (59)

The adverse health effects of bisphenol A and related toxicity mechanisms journal September 2019
Photosensitized Degradation of Bisphenol A by Dissolved Organic Matter journal November 2004
A Review of Removal of Pollutants from Water/Wastewater Using Different Types of Nanomaterials journal January 2014
Functional carbon nitride materials — design strategies for electrochemical devices journal May 2017
g-C 3 N 4 -Based Photocatalysts for Hydrogen Generation journal June 2014
Oxygen-Vacancy-Mediated Exciton Dissociation in BiOBr for Boosting Charge-Carrier-Involved Molecular Oxygen Activation journal January 2018
Enhanced Organic Photocatalysis in Confined Flow through a Carbon Nitride Nanotube Membrane with Conversions in the Millisecond Regime journal April 2021
Strong Influence of Oxygen Vacancy Location on Charge Carrier Losses in Reduced TiO 2 Nanoparticles journal May 2019
Atomic-Level Electronic Properties of Carbon Nitride Monolayers journal September 2020
Graphitic Carbon Nitride Sheet Supported Single-Atom Metal-Free Photocatalyst for Oxygen Reduction Reaction: A First-Principles Analysis journal March 2021
Mechanism of Photocatalytic Water Oxidation by Graphitic Carbon Nitride journal August 2018
Band structure and chemical bonding in transition metal carbides and nitrides journal January 1987
Recent Advances of Graphitic Carbon Nitride-Based Structures and Applications in Catalyst, Sensing, Imaging, and LEDs journal June 2017
Simultaneously Tuning Charge Separation and Oxygen Reduction Pathway on Graphitic Carbon Nitride by Polyethylenimine for Boosted Photocatalytic Hydrogen Peroxide Production journal February 2020
Novel Two-Step Surface Boron Decoration of Graphitic Carbon Nitride Photoelectrodes for Efficient Charge Transport and Separation journal November 2021
Mesoporous Phosphorus-Doped g-C 3 N 4 Nanostructured Flowers with Superior Photocatalytic Hydrogen Evolution Performance journal July 2015
Defect Engineering in Atomic-Layered Graphitic Carbon Nitride for Greatly Extended Visible-Light Photocatalytic Hydrogen Evolution journal February 2020
Alkali-Assisted Synthesis of Nitrogen Deficient Graphitic Carbon Nitride with Tunable Band Structures for Efficient Visible-Light-Driven Hydrogen Evolution journal February 2017
A facile approach to synthesize novel oxygen-doped g-C3N4 with superior visible-light photoreactivity journal January 2012
Double defects modified carbon nitride nanosheets with enhanced photocatalytic hydrogen evolution journal January 2018
Dual-defect-modified graphitic carbon nitride with boosted photocatalytic activity under visible light journal October 2019
Ab initio quantum dynamics of charge carriers in graphitic carbon nitride nanosheets journal August 2020
Ab initio nonadiabatic molecular dynamics of charge carriers in metal halide perovskites journal January 2021
Time-Domain Ab Initio Modeling of Photoinduced Dynamics at Nanoscale Interfaces journal April 2015
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set journal October 1996
Ab initio molecular-dynamics simulation of the liquid-metal–amorphous-semiconductor transition in germanium journal May 1994
Ab initiomolecular dynamics for liquid metals journal January 1993
Generalized Gradient Approximation Made Simple journal October 1996
From ultrasoft pseudopotentials to the projector augmented-wave method journal January 1999
Van der Waals density functionals applied to solids journal May 2011
Corrugation Matters: Structure Models of Single Layer Heptazine-Based Graphitic Carbon Nitride from First-Principles Studies journal February 2020
Concentric Approximation for Fast and Accurate Numerical Evaluation of Nonadiabatic Coupling with Projector Augmented-Wave Pseudopotentials journal March 2021
Influence of the exchange screening parameter on the performance of screened hybrid functionals journal December 2006
Accurate Computation of Nonadiabatic Coupling with Projector Augmented-Wave Pseudopotentials journal November 2020
Regarding the validity of the time-dependent Kohn–Sham approach for electron-nuclear dynamics via trajectory surface hopping journal January 2011
Nonadiabatic Dynamics of Charge Transfer and Singlet Fission at the Pentacene/C 60 Interface journal January 2014
Density-Functional Theory for Time-Dependent Systems journal March 1984
Trajectory Surface Hopping in the Time-Dependent Kohn-Sham Approach for Electron-Nuclear Dynamics journal October 2005
The PYXAID Program for Non-Adiabatic Molecular Dynamics in Condensed Matter Systems journal October 2013
Advanced Capabilities of the PYXAID Program: Integration Schemes, Decoherence Effects, Multiexcitonic States, and Field-Matter Interaction journal January 2014
Decoherence-induced surface hopping journal December 2012
Mean field approximation for the stochastic Schrödinger equation journal November 1999
Decoherence Allows Model Reduction in Nonadiabatic Dynamics Simulations journal August 2015
Quantum Zeno Effect Rationalizes the Phonon Bottleneck in Semiconductor Quantum Dots journal May 2013
Quantized Hamilton dynamics journal October 2000
Soft Lattice and Defect Covalency Rationalize Tolerance of β‐CsPbI 3 Perovskite Solar Cells to Native Defects journal February 2020
Charge Separation and Recombination in Two-Dimensional MoS 2 /WS 2 : Time-Domain ab Initio Modeling journal November 2016
Instantaneous Generation of Charge-Separated State on TiO 2 Surface Sensitized with Plasmonic Nanoparticles journal March 2014
Water Boiling Inside Carbon Nanotubes: Toward Efficient Drug Release journal June 2011
Common Defects Accelerate Charge Carrier Recombination in CsSnI 3 without Creating Mid-Gap States journal September 2021
Toward a Visible Light-Driven Photocatalyst: The Effect of Midgap-States-Induced Energy Gap of Undoped TiO 2 Nanoparticles journal November 2014
Porous P-doped graphitic carbon nitride nanosheets for synergistically enhanced visible-light photocatalytic H 2 production journal January 2015
VESTA 3 for three-dimensional visualization of crystal, volumetric and morphology data journal October 2011
Engineering the electronic bandgaps and band edge positions in carbon-substituted 2D boron nitride: a first-principles investigation journal January 2015
Semiconductor Electrodes book January 2007
Ab Initio Study of Vibrational Dephasing of Electronic Excitations in Semiconducting Carbon Nanotubes journal November 2007
Ab Initio Study of Temperature and Pressure Dependence of Energy and Phonon-Induced Dephasing of Electronic Excitations in CdSe and PbSe Quantum Dots journal April 2008
Statistics of the Recombinations of Holes and Electrons journal September 1952
Rapid Decoherence Suppresses Charge Recombination in Multi-Layer 2D Halide Perovskites: Time-Domain Ab Initio Analysis journal March 2018