A Ti-MOF Decorated With a Pt Nanoparticle Cocatalyst for Efficient Photocatalytic H2 Evolution: A Theoretical Study

One-Step Solvothermal Formation of Pt Nanoparticles Decorated Pt2+-Doped α-Fe2O3 Nanoplates with Enhanced Photocatalytic O2 Evolution

(2019) Huanhuan Liu et al.   ACS Catalysis

Cooperation between inside and outside of TiO2: Lattice Cu+ accelerates carrier migration to the surface of metal copper for photocatalytic CO2 reduction

(2019) Sai Zhu et al.   APPLIED CATALYSIS B-ENVIRONMENTAL

Metal-Free 2D/2D Phosphorene/g-C3 N4 Van der Waals Heterojunction for Highly Enhanced Visible-Light Photocatalytic H2 Production

(2018) Jingrun Ran et al.   ADVANCED MATERIALS

Single Pt Atoms Confined into a Metal-Organic Framework for Efficient Photocatalysis

(2018) Xinzuo Fang et al.   ADVANCED MATERIALS

A Methylthio-Functionalized-MOF Photocatalyst with High Performance for Visible-Light-Driven H2 Evolution

(2018) Shu-Yan Han et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Photocatalytic Hydrogen Production Coupled with Selective Benzylamine Oxidation over MOF Composites

(2018) Hang Liu et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

A review on H 2 production through photocatalytic reactions using TiO 2 /TiO 2 -assisted catalysts

(2018) Rohini Singh et al.   FUEL

Theoretical Investigation of the Structural Stabilities of Ceria Surfaces and Supported Metal Nanocluster in Vapor and Aqueous Phases

(2018) Zhibo Ren et al.   Journal of Physical Chemistry C

Cerium Metal–Organic Framework for Photocatalysis

(2018) Xin-Ping Wu et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Reduction of Escherichia Coli using ceramic disk filter decorated by nano-TiO 2 : A low-cost solution for household water purification

(2018) Yuan He et al.   SCIENCE OF THE TOTAL ENVIRONMENT

Understanding of the Graphene Oxide/Metal-Organic Framework Interface at the Atomistic Scale

(2018) Satyanarayana Bonakala et al.   ACS Applied Materials & Interfaces

Metal–Organic Frameworks for Photocatalysis and Photothermal Catalysis

(2018) Juan-Ding Xiao et al.   ACCOUNTS OF CHEMICAL RESEARCH

Material Design for Photocatalytic Water Splitting from a Theoretical Perspective

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

Tailoring the Linear and Second-Order Nonlinear Optical Responses of the Titanium-MIL-125 Metal–Organic Framework through Ligand Functionalization: A First Principles Study

(2018) Bilian Ni et al.   Journal of Physical Chemistry C

Photocatalytic hydrogen production using metal doped TiO2: A review of recent advances

(2018) Vignesh Kumaravel et al.   APPLIED CATALYSIS B-ENVIRONMENTAL

Hydrogen adsorption and dissociation on the TM-doped (TM=Ti, Nb) Mg 55 nanoclusters: A DFT study

(2017) Xiangliang Ma et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

Ab Initio Molecular Dynamic Simulations on Pd Clusters Confined in UiO-66-NH2

(2017) De-Li Chen et al.   Journal of Physical Chemistry C

Proton-Promoted Electron Transfer in Photocatalysis: Key Step for Photocatalytic Hydrogen Evolution on Metal/Titania Composites

(2017) Dong Wang et al.   ACS Catalysis

A Semi-Conductive Copper-Organic Framework with Two Types of Photocatalytic Activity

(2016) Zhi-Lei Wu et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Boosting Photocatalytic Hydrogen Production of a Metal-Organic Framework Decorated with Platinum Nanoparticles: The Platinum Location Matters

(2016) Juan-Ding Xiao et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Solar-Driven Reduction of Aqueous Protons Coupled to Selective Alcohol Oxidation with a Carbon Nitride–Molecular Ni Catalyst System

(2016) Hatice Kasap et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

A new understanding of the photocatalytic mechanism of the direct Z-scheme g-C3N4/TiO2heterostructure

(2016) Jianjun Liu et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

On the applicability of hybrid functionals for predicting fundamental properties of metals

(2016) Weiwei Gao et al.   SOLID STATE COMMUNICATIONS

Electronic origins of photocatalytic activity in d 0 metal organic frameworks

(2016) Maxim A. Nasalevich et al.   Scientific Reports

Effect of Sb Segregation on Conductance and Catalytic Activity at Pt/Sb-Doped SnO2 Interface: A Synergetic Computational and Experimental Study

(2015) Qiang Fu et al.   ACS Applied Materials & Interfaces

Understanding Intrinsic Light Absorption Properties of UiO-66 Frameworks: A Combined Theoretical and Experimental Study

(2015) Kevin Hendrickx et al.   INORGANIC CHEMISTRY

A Clean and General Strategy To Decorate a Titanium Metal–Organic Framework with Noble-Metal Nanoparticles for Versatile Photocatalytic Applications

(2015) Lijuan Shen et al.   INORGANIC CHEMISTRY

Ultrafine Pt nanoparticle induced doping/strain of single layer graphene: experimental corroboration between conduction and Raman characteristics

(2015) Haisheng Zheng et al.   JOURNAL OF MATERIALS SCIENCE-MATERIALS IN ELECTRONICS

Structural and Electronic Properties of Pt13Nanoclusters on Amorphous Silica Supports

(2015) Christopher S. Ewing et al.   Journal of Physical Chemistry C

RASPA: molecular simulation software for adsorption and diffusion in flexible nanoporous materials

(2015) David Dubbeldam et al.   MOLECULAR SIMULATION

ABCluster: the artificial bee colony algorithm for cluster global optimization

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

A dye-sensitized Pt@UiO-66(Zr) metal–organic framework for visible-light photocatalytic hydrogen production

(2014) Jiao He et al.   CHEMICAL COMMUNICATIONS

Semiconductor heterojunction photocatalysts: design, construction, and photocatalytic performances

(2014) Huanli Wang et al.   CHEMICAL SOCIETY REVIEWS

Density Functional Theory Study on the Metal–Support Interaction between Ru Cluster and Anatase TiO2(101) Surface

(2014) Shi-Tong Zhang et al.   Journal of Physical Chemistry C

Electronic Chemical Potentials of Porous Metal–Organic Frameworks

(2014) Keith T. Butler et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Redox shuttle mechanism enhances photocatalytic H 2 generation on Ni-decorated CdS nanorods

(2014) Thomas Simon et al.   NATURE MATERIALS

Roles of Cocatalysts in Photocatalysis and Photoelectrocatalysis

(2013) Jinhui Yang et al.   ACCOUNTS OF CHEMICAL RESEARCH

Fast and Accurate Electrostatics in Metal Organic Frameworks with a Robust Charge Equilibration Parameterization for High-Throughput Virtual Screening of Gas Adsorption

(2013) Eugene S. Kadantsev et al.   Journal of Physical Chemistry Letters

Engineering the Optical Response of the Titanium-MIL-125 Metal–Organic Framework through Ligand Functionalization

(2013) Christopher H. Hendon et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Band alignment of rutile and anatase TiO2

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

Interactions of platinum clusters with a graphite substrate

(2013) G. Ramos-Sanchez et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Efficient hydrogen production and photocatalytic reduction of nitrobenzene over a visible-light-responsive metal–organic framework photocatalyst

(2013) Takashi Toyao et al.   Catalysis Science & Technology

Active sites on hydrogen evolution photocatalyst

(2013) Jun Xing et al.   Journal of Materials Chemistry A

An Amine-Functionalized Titanium Metal-Organic Framework Photocatalyst with Visible-Light-Induced Activity for CO2 Reduction

(2012) Yanghe Fu et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Binding of Pt Nanoclusters to Point Defects in Graphene: Adsorption, Morphology, and Electronic Structure

(2012) Ioanna Fampiou et al.   Journal of Physical Chemistry C

Structure and Mobility of Metal Clusters in MOFs: Au, Pd, and AuPd Clusters in MOF-74

(2012) Lasse B. Vilhelmsen et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Improved oxygen reduction activity on the Ih Cu@Pt core–shell nanoparticles

(2011) Zongxian Yang et al.   CHEMICAL PHYSICS LETTERS

Multiwfn: A multifunctional wavefunction analyzer

(2011) Tian Lu et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

DFT-Based Study on Oxygen Adsorption on Defective Graphene-Supported Pt Nanoparticles

(2011) Dong-Hee Lim et al.   Journal of Physical Chemistry C

Increasing Solar Absorption for Photocatalysis with Black Hydrogenated Titanium Dioxide Nanocrystals

(2011) X. Chen et al.   SCIENCE

A New Photoactive Crystalline Highly Porous Titanium(IV) Dicarboxylate

(2009) Meenakshi Dan-Hardi et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Photocatalytic Applications of Micro- and Nano-TiO2in Environmental Engineering

(2008) Soonchul Kwon et al.   CRITICAL REVIEWS IN ENVIRONMENTAL SCIENCE AND TECHNOLOGY

Excess electron states in reduced bulk anatase TiO2: Comparison of standard GGA, GGA+U, and hybrid DFT calculations

(2008) Emanuele Finazzi et al.   JOURNAL OF CHEMICAL PHYSICS

Principal Component Analysis for Protein Folding Dynamics

(2008) Gia G. Maisuradze et al.   JOURNAL OF MOLECULAR BIOLOGY

Insights into Current Limitations of Density Functional Theory

(2008) A. J. Cohen et al.   SCIENCE