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