Monolayer Fullerene Networks as Photocatalysts for Overall Water Splitting

2D materials and heterostructures for photocatalytic water-splitting: A theoretical perspective

(2022) Guang-Zhao Wang et al.   JOURNAL OF PHYSICS D-APPLIED PHYSICS

Two-dimensional CdS/SnS2 heterostructure: a highly efficient direct Z-scheme water splitting photocatalyst

(2022) Can Fu et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Understanding the Photocatalytic Activity of La5Ti2AgS5O7 and La5Ti2CuS5O7 for Green Hydrogen Production: Computational Insights

(2022) Katarina Brlec et al.   ACS Applied Energy Materials

Existence of BeCN2 and Its First-Principles Phase Diagram: Be and C Introducing Structural Diversity

(2022) Dongbao Luo et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Observation of in-plane exciton–polaritons in monolayer WSe2 driven by plasmonic nanofingers

(2022) Guangxu Su et al.   Nanophotonics

Molecular soccer balls connected to make a 2D material

(2022) J. Michael Gottfried   NATURE

Synthesis of a monolayer fullerene network

(2022) Lingxiang Hou et al.   NATURE

A DFT study of the electronic, optical, and mechanical properties of a recently synthesized monolayer fullerene network

(2022) Raphael M. Tromer et al.   CHEMICAL PHYSICS LETTERS

Conduction Band Control of Oxyhalides with a Triple-Fluorite Layer for Visible Light Photocatalysis

(2021) Akinobu Nakada et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Efficient calculation of carrier scattering rates from first principles

(2021) Alex M. Ganose et al.   Nature Communications

VASPKIT: A user-friendly interface facilitating high-throughput computing and analysis using VASP code

(2021) Vei Wang et al.   COMPUTER PHYSICS COMMUNICATIONS

Phonon-assisted electronic states modulation of few-layer PdSe2 at terahertz frequencies

(2021) Ziqi Li et al.   npj 2D Materials and Applications

A Density Functional Theory Study of the Cu2ZnSnS4 Monolayer as a Photo-electrointegrated Catalyst for Water Splitting and Hydrogen Evolution

(2020) Ruifen Zhang et al.   Journal of Physical Chemistry C

Halogen modified two-dimensional covalent triazine frameworks as visible-light driven photocatalysts for overall water splitting

(2020) Cen-Feng Fu et al.   Science China-Chemistry

Recent Progress on Fullerene-Based Materials: Synthesis, Properties, Modifications, and Photocatalytic Applications

(2020) Sai Yao et al.   Materials

Recent Advancements and Future Prospects in Ultrathin 2D Semiconductor-Based Photocatalysts for Water Splitting

(2020) Xiaoyong Yang et al.   Catalysts

Interface engineering of C60/ fluorine doped tin oxide on the photovoltaic performance of perovskite solar cells using the physical vapor deposition technique

(2019) V Arivazhagan et al.   JOURNAL OF PHYSICS D-APPLIED PHYSICS

Tunable Photocatalytic Water Splitting by the Ferroelectric Switch in a 2D AgBiP2Se6 Monolayer

(2019) Lin Ju et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Advances in photocatalysis based on fullerene C60 and its derivatives: Properties, mechanism, synthesis, and applications

(2019) Yuan Pan et al.   APPLIED CATALYSIS B-ENVIRONMENTAL

Interface Engineering of Monolayer MoS2/GaN Hybrid Heterostructure: Modified Band Alignment for Photocatalytic Water Splitting Application by Nitridation Treatment

(2018) Zhaofu Zhang et al.   ACS Applied Materials & Interfaces

Role of electron-phonon coupling and thermal expansion on band gaps, carrier mobility, and interfacial offsets in kesterite thin-film solar cells

(2018) Bartomeu Monserrat et al.   APPLIED PHYSICS LETTERS

Stable structures of exohedrally decorated C 60 -fullerenes

(2018) Deb Sankar De et al.   CARBON

Dye-sensitized nanoparticles for heterogeneous photocatalysis: Cases studies with TiO 2 , ZnO, fullerene and graphene for water purification

(2018) Zahraa Youssef et al.   DYES AND PIGMENTS

Hybridizing MoS 2 and C 60 via a van der Waals heterostructure toward synergistically enhanced visible light photocatalytic hydrogen production activity

(2018) Jian Guan et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

Blue Phosphorus/Mg(OH)2 van der Waals Heterostructures as Promising Visible-Light Photocatalysts for Water Splitting

(2018) Bao-Ji Wang et al.   Journal of Physical Chemistry C

Dispersive and covalent interactions in all-carbon heterostructures consisting of penta-graphene and fullerene: topological effect

(2018) Qing Chen et al.   JOURNAL OF PHYSICS D-APPLIED PHYSICS

First-Principles Investigations of the Temperature Dependence of Electronic Structure and Optical Properties of Rutile TiO2

(2018) Yu-Ning Wu et al.   Journal of Physical Chemistry C

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

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

Band Alignment Engineering in Two-Dimensional Lateral Heterostructures

(2018) Biyuan Zheng et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

PdSeO3 Monolayer: Promising Inorganic 2D Photocatalyst for Direct Overall Water Splitting Without Using Sacrificial Reagents and Cocatalysts

(2018) Man Qiao et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Room-Temperature Bound Exciton with Long Lifetime in Monolayer GaN

(2018) Bo Peng et al.   ACS Photonics

Effective photoinduced charge separation and photocatalytic activity of hierarchical microsphere-like C60/BiOCl

(2018) Dongmei Ma et al.   APPLIED SURFACE SCIENCE

Macroscopic dielectric function within time-dependent density functional theory—Real time evolution versus the Casida approach

(2017) Tobias Sander et al.   JOURNAL OF CHEMICAL PHYSICS

Interlayer Excitons and Band Alignment in MoS2/hBN/WSe2 van der Waals Heterostructures

(2017) Simone Latini et al.   NANO LETTERS

Two-dimensional van der Waals heterojunctions for functional materials and devices

(2017) Wei Hu et al.   Journal of Materials Chemistry C

Stability and strength of atomically thin borophene from first principles calculations

(2017) Bo Peng et al.   Materials Research Letters

Fullerene [C 60 ] modified Cr 2−x Fe x O 3 nanocomposites for enhanced photocatalytic activity under visible light irradiation

(2016) Ting Song et al.   CHEMICAL ENGINEERING JOURNAL

Water splitting and the band edge positions of TiO 2

(2016) Peter Deák et al.   ELECTROCHIMICA ACTA

Molecular hydrogen storage in fullerenes – A dispersion-corrected density functional theory study

(2016) D.J. Durbin et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

Strain-Robust and Electric Field Tunable Band Alignments in van der Waals WSe2–Graphene Heterojunctions

(2016) Zhi Gen Yu et al.   Journal of Physical Chemistry C

Temperature Dependence of the Energy Levels of Methylammonium Lead Iodide Perovskite from First-Principles

(2016) Wissam A. Saidi et al.   Journal of Physical Chemistry Letters

Characterization Of C60/Bi2TiO4F2as a Potential Visible Spectrum Photocatalyst for The Depolymerization of Lignin

(2016) Zhijie Du et al.   JOURNAL OF WOOD CHEMISTRY AND TECHNOLOGY

Band Alignment in MoS2/WS2 Transition Metal Dichalcogenide Heterostructures Probed by Scanning Tunneling Microscopy and Spectroscopy

(2016) Heather M. Hill et al.   NANO LETTERS

Band Alignment and Minigaps in Monolayer MoS2-Graphene van der Waals Heterostructures

(2016) Debora Pierucci et al.   NANO LETTERS

Thiol-ene polymer microbeads prepared under high-shear and their successful utility as a heterogeneous photocatalyst via C 60 -capping

(2016) Emily M. Barker et al.   POLYMER

Spatial Electron-hole Separation in a One Dimensional Hybrid Organic–Inorganic Lead Iodide

(2016) Christopher N. Savory et al.   Scientific Reports

Systematic study of electronic structure and band alignment of monolayer transition metal dichalcogenides in Van der Waals heterostructures

(2016) Chenxi Zhang et al.   2D Materials

Band Alignment in WSe2–Graphene Heterostructures

(2015) Kyounghwan Kim et al.   ACS Nano

Electric-dipole effect of defects on the energy band alignment of rutile and anatase TiO2

(2015) Daoyu Zhang et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Beyond the Tamm-Dancoff approximation for extended systems using exact diagonalization

(2015) Tobias Sander et al.   PHYSICAL REVIEW B

Band Alignment and Controllable Electron Migration between Rutile and Anatase TiO2

(2015) Yang Mi et al.   Scientific Reports

Origin of High Photocatalytic Properties in the Mixed-Phase TiO2: A First-Principles Theoretical Study

(2014) Ming-Gang Ju et al.   ACS Applied Materials & Interfaces

Advancing the Electrochemistry of the Hydrogen-Evolution Reaction through Combining Experiment and Theory

(2014) Yao Zheng et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Semiconductors Used in Photovoltaic and Photocatalytic Devices: Assessing Fundamental Properties from DFT

(2014) Tangui Le Bahers et al.   Journal of Physical Chemistry C

Single-Layer Group-III Monochalcogenide Photocatalysts for Water Splitting

(2013) Houlong L. Zhuang et al.   CHEMISTRY OF MATERIALS

Hierarchical hollow spheres composed of ultrathin Fe2O3 nanosheets for lithium storage and photocatalytic water oxidation

(2013) Jixin Zhu et al.   Energy & Environmental Science

Enhanced Visible Light Photocatalysis of Bi2O3 upon Fluorination

(2013) Hai-Ying Jiang et al.   Journal of Physical Chemistry C

Energy Band Alignment between Anatase and Rutile TiO2

(2013) Verena Pfeifer et al.   Journal of Physical Chemistry Letters

Massive Dirac quasiparticles in the optical absorbance of graphene, silicene, germanene, and tinene

(2013) Lars Matthes et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Band alignment of rutile and anatase TiO2

(2013) David O. Scanlon et al.   NATURE MATERIALS

Universal infrared absorbance of two-dimensional honeycomb group-IV crystals

(2013) Lars Matthes et al.   PHYSICAL REVIEW B

Photocatalytic degradation of carbamazepine by tailored BiPO4: efficiency, intermediates and pathway

(2012) Jian Xu et al.   APPLIED CATALYSIS B-ENVIRONMENTAL

Infrared absorbance of silicene and germanene

(2012) Friedhelm Bechstedt et al.   APPLIED PHYSICS LETTERS

Density Functional Theory Study of the Interaction of Hydrogen with Li6C60

(2012) Qian Wang et al.   Journal of Physical Chemistry Letters

A titanium-based oxysulfide photocatalyst: La5Ti2MS5O7 (M = Ag, Cu) for water reduction and oxidation

(2012) Takahiro Suzuki et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Enhanced photocatalytic activity of bimodal mesoporous titania powders by C60 modification

(2011) Jiaguo Yu et al.   DALTON TRANSACTIONS

VESTA 3for three-dimensional visualization of crystal, volumetric and morphology data

(2011) Koichi Momma et al.   JOURNAL OF APPLIED CRYSTALLOGRAPHY

Improved hybrid functional for solids: The HSEsol functional

(2011) Laurids Schimka et al.   JOURNAL OF CHEMICAL PHYSICS

Band Lineup and Charge Carrier Separation in Mixed Rutile-Anatase Systems

(2011) Peter Deák et al.   Journal of Physical Chemistry C

Enhancement in the photocatalytic and photoelectrochemical properties of visible-light driven BiVO4 photocatalyst

(2011) Yan Zhang et al.   RARE METALS

A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

(2010) Stefan Grimme et al.   JOURNAL OF CHEMICAL PHYSICS

Self-energy and excitonic effects in the electronic and optical properties ofTiO2crystalline phases

(2010) Letizia Chiodo et al.   PHYSICAL REVIEW B

Development of [60] fullerene supported on silica catalysts for the photo-oxidation of alkenes

(2009) George D. Panagiotou et al.   APPLIED CATALYSIS A-GENERAL

Theoretical Study of Hydrogen Storage in Ca-Coated Fullerenes

(2009) Qian Wang et al.   Journal of Chemical Theory and Computation

Photocorrosion Inhibition and Enhancement of Photocatalytic Activity for ZnO via Hybridization with C60

(2008) Hongbo Fu et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

Calcium as the Superior Coating Metal in Functionalization of Carbon Fullerenes for High-Capacity Hydrogen Storage

(2008) Mina Yoon et al.   PHYSICAL REVIEW LETTERS

Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces

(2008) John P. Perdew et al.   PHYSICAL REVIEW LETTERS