Direct Z-Scheme Photocatalytic System: Insights into the Formative Factors of Photogenerated Carriers Transfer Channel from Ultrafast Dynamics

Interfacial Chemical Bond‐Modulated Z‐Scheme Charge Transfer for Efficient Photoelectrochemical Water Splitting

(2021) Weiwei Xu et al.   Advanced Energy Materials

The origin of enhanced photocatalytic activity in g-C3N4/TiO2 heterostructure revealed by DFT calculations

(2021) Xiaohui Yu et al.   JOURNAL OF COLLOID AND INTERFACE SCIENCE

Efficient Photoexcited Charge Separation at the Interface of a Novel 0D/2D Heterojunction: A Time-Dependent Ultrafast Dynamic Study

(2021) Xueke Yu et al.   Journal of Physical Chemistry Letters

Real-time GW-BSE investigations on spin-valley exciton dynamics in monolayer transition metal dichalcogenide

(2021) Xiang Jiang et al.   Science Advances

Common Defects Accelerate Charge Separation and Reduce Recombination in CNT/Molecule Composites: Atomistic Quantum Dynamics

(2021) Ritabrata Sarkar et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Boron-doped nitrogen-deficient carbon nitride-based Z-scheme heterostructures for photocatalytic overall water splitting

(2021) Daming Zhao et al.   Nature Energy

Highly Efficient Photocatalytic CO2 Reduction in Two-Dimensional Ferroelectric CuInP2S6 Bilayers

(2021) Yingcai Fan et al.   ACS Applied Materials & Interfaces

Interfacial chemical bond and internal electric field modulated Z-scheme Sv-ZnIn2S4/MoSe2 photocatalyst for efficient hydrogen evolution

(2021) Xuehua Wang et al.   Nature Communications

Photocatalytic Z‐Scheme Overall Water Splitting: Recent Advances in Theory and Experiments

(2021) Jamal Abdul Nasir et al.   ADVANCED MATERIALS

Rational Design and Characterization of Direct Z-Scheme Photocatalyst for Overall Water Splitting from Excited State Dynamics Simulations

(2020) Xianghong Niu et al.   ACS Catalysis

Enabling Efficient Charge Separation for Optoelectronic Conversion via an Energy-Dependent Z-Scheme n-Semiconductor–Metal–p-Semiconductor Schottky Heterojunction

(2020) Mesfin Eshete et al.   Journal of Physical Chemistry Letters

Two dimensional ferroelectrics: Candidate for controllable physical and chemical applications

(2020) Jing Shang et al.   Wiley Interdisciplinary Reviews-Computational Molecular Science

Defect Chemistry in Heterogeneous Catalysis: Recognition, Understanding, and Utilization

(2020) Chao Xie et al.   ACS Catalysis

Few-Layer In2S3 in Laponite Interlayers: A Colloidal Route Toward Heterostructured Nanohybrids with Enhanced Photocatalysis

(2020) Junying Liu et al.   CHEMISTRY OF MATERIALS

Photocatalytic CO2 Reduction: A Review of Ab Initio Mechanism, Kinetics, and Multiscale Modeling Simulations

(2020) Žan Kovačič et al.   ACS Catalysis

Review on metal sulphide-based Z-scheme photocatalysts

(2019) Tingmin Di et al.   ChemCatChem

Ab initio nonadiabatic molecular dynamics investigations on the excited carriers in condensed matter systems

(2019) Qijing Zheng et al.   Wiley Interdisciplinary Reviews-Computational Molecular Science

A fast synthesis route of boron–carbon–nitrogen ultrathin layers towards highly mixed ternary B–C–N phases

(2019) Fabrice Leardini et al.   2D Materials

Direct Z-Scheme Hetero-phase Junction of Black/Red Phosphorus for Photocatalytic Water Splitting

(2019) Fulai Liu et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Covalent Functionalized Black Phosphorus Greatly Inhibits Nonradiative Charge Recombination: A Time Domain Ab Initio Study

(2019) Yaqing Wei et al.   Journal of Physical Chemistry Letters

Highly Efficient Performance and Conversion Pathway of Photocatalytic CH3SH Oxidation on Self-Stabilized Indirect Z-Scheme g-C3N4/I3–-BiOI

(2018) Lingling Hu et al.   ACS Applied Materials & Interfaces

Z-Scheme Photocatalytic Water Splitting on a 2D Heterostructure of Black Phosphorus/Bismuth Vanadate Using Visible Light

(2018) Mingshan Zhu et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Photoexcitation Dynamics in Janus-MoSSe/WSe2 Heterobilayers: Ab Initio Time-Domain Study

(2018) Yan Liang et al.   Journal of Physical Chemistry Letters

Direct Z-scheme photocatalysts: Principles, synthesis, and applications

(2018) Quanlong Xu et al.   Materials Today

Consciously Constructing Heterojunction or Direct Z-Scheme Photocatalysts by Regulating Electron Flow Direction

(2018) Wenshuai Jiang et al.   ACS Catalysis

Role of Interfaces in Two-Dimensional Photocatalyst for Water Splitting

(2018) Tongming Su et al.   ACS Catalysis

Efficient Redox-Mediator-Free Z-Scheme Water Splitting Employing Oxysulfide Photocatalysts under Visible Light

(2018) Song Sun et al.   ACS Catalysis

Direct Z-Scheme Water Splitting Photocatalyst Based on Two-Dimensional Van Der Waals Heterostructures

(2018) Ruiqi Zhang et al.   Journal of Physical Chemistry Letters

Intrinsic Electric Fields in Two-dimensional Materials Boost the Solar-to-Hydrogen Efficiency for Photocatalytic Water Splitting

(2018) Cen-Feng Fu et al.   NANO LETTERS

Colloidal Synthesis of Ultrathin Monoclinic BiVO4 Nanosheets for Z-Scheme Overall Water Splitting under Visible Light

(2018) Chunwei Dong et al.   ACS Catalysis

Insights into the mechanism of the enhanced visible-light photocatalytic activity of black phosphorus/BiVO4 heterostructure: a first-principles study

(2018) Yuxuan Chen et al.   Journal of Materials Chemistry A

Material Design for Photocatalytic Water Splitting from a Theoretical Perspective

(2018) Cen-Feng Fu et al.   ADVANCED MATERIALS

In Situ Irradiated X-Ray Photoelectron Spectroscopy Investigation on a Direct Z-Scheme TiO2 /CdS Composite Film Photocatalyst

(2018) Jingxiang Low et al.   ADVANCED MATERIALS

Construction of In2Se3/MoS2 heterojunction as photoanode toward efficient photoelectrochemical water splitting

(2018) Yan Jiang et al.   CHEMICAL ENGINEERING JOURNAL

Phonon-Assisted Ultrafast Charge Transfer at van der Waals Heterostructure Interface

(2017) Qijing Zheng et al.   NANO LETTERS

g-C3 N4 -Based Heterostructured Photocatalysts

(2017) Junwei Fu et al.   Advanced Energy Materials

Charge Separation and Recombination in Two-Dimensional MoS2/WS2: Time-Domain ab Initio Modeling

(2016) Linqiu Li et al.   CHEMISTRY OF MATERIALS

Nonradiative Relaxation of Photoexcited Black Phosphorus Is Reduced by Stacking with MoS2: A Time Domain ab Initio Study

(2016) Run Long et al.   Journal of Physical Chemistry Letters

Ultrafast charge transfer in MoS2/WSe2p–n Heterojunction

(2016) Bo Peng et al.   2D Materials

Z-Scheme Photocatalytic Systems for Promoting Photocatalytic Performance: Recent Progress and Future Challenges

(2016) Haijin Li et al.   Advanced Science

Ultrafast Charge Separation and Indirect Exciton Formation in a MoS2–MoSe2 van der Waals Heterostructure

(2014) Frank Ceballos et al.   ACS Nano

All-Solid-State Z-Scheme Photocatalytic Systems

(2014) Peng Zhou et al.   ADVANCED MATERIALS

Advanced Capabilities of the PYXAID Program: Integration Schemes, Decoherence Effects, Multiexcitonic States, and Field-Matter Interaction

(2014) Alexey V. Akimov et al.   Journal of Chemical Theory and Computation

Polarity-Reversed Robust Carrier Mobility in Monolayer MoS2 Nanoribbons

(2014) Yongqing Cai et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Ultrafast charge transfer in atomically thin MoS2/WS2 heterostructures

(2014) Xiaoping Hong et al.   Nature Nanotechnology