☆ 4.8 Article

Subtle Structure Matters: The Vicinity of Surface Ti5c Cations Alters the Photooxidation Behaviors of Anatase and Rutile TiO2 under Aqueous Environments

ACS CATALYSIS (2022)

相关参考文献

注意：仅列出部分参考文献，下载原文获取全部文献信息。

Article Chemistry, Physical

SSIA: A sensitivity-supervised interlock algorithm for high-performance microkinetic solving

Jianfu Chen et al.

Summary: The SSIA algorithm achieves a 100% success rate in solving the steady state of heterogeneous catalytic systems, outperforming traditional methods in both speed and computational cost savings. It introduces coverage sensitivity and exponential space for initial coverage generation, providing a more effective simulation of practical coverage variations among intermediates.

JOURNAL OF CHEMICAL PHYSICS (2021)

添加到收藏夹

Article Chemistry, Multidisciplinary

CATKINAS: A large-scale catalytic microkinetic analysis software for mechanism auto-analysis and catalyst screening

Jianfu Chen et al.

Summary: Microkinetic modeling is increasingly popular for analyzing complex catalytic reaction networks, and the CATKINAS package, with its multilevel solver and multifunctional analyzer, provides accurate solutions and automatic analysis for a wide range of catalytic systems. The software's structure, workflow, and efficiency are demonstrated using the example of CO methanation reaction.

JOURNAL OF COMPUTATIONAL CHEMISTRY (2021)

添加到收藏夹

Article Multidisciplinary Sciences

Function-oriented design of robust metal cocatalyst for photocatalytic hydrogen evolution on metal/titania composites

Dong Wang et al.

Summary: Photocatalytic performances require both active catalytic surfaces and efficient electron transfer steps. Here the authors introduce a function-oriented catalyst design strategy optimizing both aspects and generalize an effective electron transfer descriptor on metal/oxide catalysts.

NATURE COMMUNICATIONS (2021)

添加到收藏夹

Article Chemistry, Physical

Tuning Reaction Pathway of CO2 Photoreduction via PtRu Bimetallic Microstructure Regulation

Songchang Hu et al.

Summary: The series bimetallic PtRu/TiO2 was prepared by one-pot glycol reduction method, showing enhanced electron separation ability and improved photocatalytic CH4 production compared to monometallic Pt/TiO2. Ru sites were proven to be effective CO2 hydrogenation centers, facilitating the conversion of byproduct H2 into CH4 during CO2 photoreduction.

JOURNAL OF PHYSICAL CHEMISTRY C (2021)

添加到收藏夹

Article Chemistry, Multidisciplinary

In Situ Active Site for CO Activation in Fe-Catalyzed Fischer-Tropsch Synthesis from Machine Learning

Qian-Yu Liu et al.

Summary: In this study, machine learning simulation was used to explore FeCx structures under FTS conditions, leading to the identification of the active site for CO activation. This understanding of atomic-level processes can help in correlating structure and activity, ultimately aiding in the design of improved FT catalysts.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2021)

添加到收藏夹

Article Chemistry, Multidisciplinary

Multihole water oxidation catalysis on haematite photoanodes revealed by operando spectroelectrochemistry and DFT

Camilo A. Mesa et al.

NATURE CHEMISTRY (2020)

添加到收藏夹

Article Chemistry, Physical

Strategies To Improve the Activity While Maintaining the Selectivity of Oxidative Coupling of Methane at La2O3: A Density Functional Theory Study

Zhi-Qiang Wang et al.

ACS CATALYSIS (2020)

添加到收藏夹

Article Chemistry, Physical

Three-Dimensional Kinetic Trends in Zeolites Catalyzed Benzene Ethylation Reaction: A Descriptor-Based DFT Study Coupled with Microkinetic Modeling

Dong Wang et al.

ACS CATALYSIS (2020)

添加到收藏夹

Article Chemistry, Physical

Beyond Scaling Relations for the Description of Catalytic Materials

Mie Andersen et al.

ACS CATALYSIS (2019)

添加到收藏夹

Article Chemistry, Physical

First-principles kinetic study on benzene alkylation with ethanol vs. ethylene in H-ZSM-5

Dong Wang et al.

JOURNAL OF CATALYSIS (2019)

添加到收藏夹

Article Chemistry, Physical

Promoting solar-to-hydrogen evolution on Schottky interface with mesoporous TiO2-Cu hybrid nanostructures

Jiaxin Zhu et al.

JOURNAL OF COLLOID AND INTERFACE SCIENCE (2019)

添加到收藏夹

Article Chemistry, Multidisciplinary

Generalized Synthetic Strategy for Transition-Metal-Doped Brookite-Phase TiO2 Nanorods

Zhiyong Zhang et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2019)

添加到收藏夹

Article Chemistry, Multidisciplinary

Direct and Selective Photocatalytic Oxidation of CH4 to Oxygenates with O2 on Cocatalysts/ZnO at Room Temperature in Water

Hui Song et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2019)

添加到收藏夹

Article Multidisciplinary Sciences

Size-dependent activity and selectivity of carbon dioxide photocatalytic reduction over platinum nanoparticles

Chunyang Dong et al.

NATURE COMMUNICATIONS (2018)

添加到收藏夹

Article Chemistry, Physical

Identifying Influential Parameters of Octahedrally Coordinated Cations in Spinel ZnMnxCo2-xO4 Oxides for the Oxidation Reaction

Ting Wang et al.

ACS CATALYSIS (2018)

添加到收藏夹

Article Chemistry, Physical

Identifying the key obstacle in photocatalytic oxygen evolution on rutile TiO2

Dong Wang et al.

NATURE CATALYSIS (2018)

添加到收藏夹

Article Chemistry, Multidisciplinary

Excited-State N2 Dissociation Pathway on Fe-Functionalized Au

John Mark P. Martirez et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2017)

添加到收藏夹

Article Chemistry, Physical

Trapping-Induced Enhancement of Photocatalytic Activity on Brookite TiO2 Powders: Comparison with Anatase and Rutile TiO2 Powders

Junie Jhon M. Vequizo et al.

ACS CATALYSIS (2017)

添加到收藏夹

Article Chemistry, Physical

Water Oxidation Kinetics of Accumulated Holes on the Surface of a TiO2 Photoanode: A Rate Law Analysis

Andreas Kafizas et al.

ACS CATALYSIS (2017)

添加到收藏夹

Article Chemistry, Multidisciplinary

TiO2 Nanotubes: Nitrogen-Ion Implantation at Low Dose Provides Noble-Metal-Free Photocatalytic H2-Evolution Activity

Xuemei Zhou et al.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2016)

添加到收藏夹

Article Chemistry, Physical

Unexpected C-C Bond Cleavage Mechanism in Ethylene Combustion at Low Temperature: Origin and Implications

Hai-Feng Wang et al.

ACS CATALYSIS (2016)

添加到收藏夹

Article Chemistry, Physical

Visible-Light-Driven Photocatalytic Hydrogen Generation on Nanosized TiO2-II Stabilized by High-Pressure Torsion

Hadi Razavi-Khosroshahi et al.

ACS CATALYSIS (2016)

添加到收藏夹

Article Chemistry, Physical

Reversibility Iteration Method for Understanding Reaction Networks and for Solving Microkinetics in Heterogeneous Catalysis

Jian-Fu Chen et al.

ACS CATALYSIS (2016)

添加到收藏夹

Article Chemistry, Physical

Pathway of Photocatalytic Oxygen Evolution on Aqueous TiO2 Anatase and Insights into the Different Activities of Anatase and Rutile

Ye-Fei Li et al.

ACS CATALYSIS (2016)

添加到收藏夹

Article Chemistry, Physical

Dependence of photocatalytic activity on aspect ratio of a brookite TiO2 nanorod and drastic improvement in visible light responsibility of a brookite TiO2 nanorod by site-selective modification of Fe3+ on exposed faces

Teruhisa Ohno et al.

JOURNAL OF MOLECULAR CATALYSIS A-CHEMICAL (2015)

添加到收藏夹

Article Chemistry, Physical

Transient Absorption Spectroscopy of Anatase and Rutile: The Impact of Morphology and Phase on Photocatalytic Activity

Xiuli Wang et al.

JOURNAL OF PHYSICAL CHEMISTRY C (2015)

添加到收藏夹

Article Chemistry, Multidisciplinary

Aligning Electronic and Protonic Energy Levels of Proton-Coupled Electron Transfer in Water Oxidation on Aqueous TiO2

Jun Cheng et al.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2014)

添加到收藏夹

Review Chemistry, Multidisciplinary

Theoretical Studies on Anatase and Less Common TiO2 Phases: Bulk, Surfaces, and Nanomaterials

Filippo De Angelis et al.

CHEMICAL REVIEWS (2014)

添加到收藏夹

Article Chemistry, Physical

Dynamics of the Photogenerated Hole at the Rutile TiO2(110)/Water Interface: A Nonadiabatic Simulation Study

Georgios A. Tritsaris et al.

JOURNAL OF PHYSICAL CHEMISTRY C (2014)

添加到收藏夹

Article Chemistry, Physical

A Comparative Theoretical Study of Proton-Coupled Hole Transfer for H2O and Small Organic Molecules (CH3OH, HCOOH, H2CO) on the Anatase TiO2(101) Surface

Yongfei Ji et al.

JOURNAL OF PHYSICAL CHEMISTRY C (2014)

添加到收藏夹

Article Chemistry, Physical

GGA plus U Study on the Mechanism of Photodecomposition of Water Adsorbed on Rutile TiO2(110) Surface: Free vs Trapped Hole

Yongfei Ji et al.

JOURNAL OF PHYSICAL CHEMISTRY C (2014)

添加到收藏夹

Article Multidisciplinary Sciences

Why is anatase a better photocatalyst than rutile? - Model studies on epitaxial TiO2 films

Tim Luttrell et al.

SCIENTIFIC REPORTS (2014)

添加到收藏夹

Review Chemistry, Multidisciplinary

Roles of Cocatalysts in Photocatalysis and Photoelectrocatalysis

Jinhui Yang et al.

ACCOUNTS OF CHEMICAL RESEARCH (2013)

添加到收藏夹

Article Chemistry, Multidisciplinary

Direct splitting of pure water into hydrogen and oxygen using rutile titania powder as a photocatalyst

Kazuhiko Maeda

CHEMICAL COMMUNICATIONS (2013)

添加到收藏夹

Article Chemistry, Physical

Structure Sensitivity of CO Oxidation on Co3O4: A DFT Study

Xian-Yong Pang et al.

CHEMPHYSCHEM (2013)

添加到收藏夹

Article Chemistry, Multidisciplinary

Chemical Dynamics of the First Proton-Coupled Electron Transfer of Water Oxidation on TiO2 Anatase

Jia Chen et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2013)

添加到收藏夹

Article Chemistry, Physical

Band alignment of rutile and anatase TiO2

David O. Scanlon et al.

NATURE MATERIALS (2013)

添加到收藏夹

Article Multidisciplinary Sciences

Codoping titanium dioxide nanowires with tungsten and carbon for enhanced photoelectrochemical performance

In Sun Cho et al.

NATURE COMMUNICATIONS (2013)

添加到收藏夹

Article Chemistry, Physical

In Situ Loading Transition Metal Oxide Clusters on TiO2 Nanosheets As Co-catalysts for Exceptional High Photoactivity

Lichen Liu et al.

ACS CATALYSIS (2013)

添加到收藏夹

Article Chemistry, Multidisciplinary

Active Facets on Titanium(III)-Doped TiO2: An Effective Strategy to Improve the Visible-Light Photocatalytic Activity

Fan Zuo et al.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2012)

添加到收藏夹

Article Chemistry, Multidisciplinary

Photocatalytic Overall Water Splitting Promoted by an alpha-beta phase Junction on Ga2O3

Xiang Wang et al.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2012)

添加到收藏夹

Article Chemistry, Multidisciplinary

Does a Photocatalytic Synergy in an Anatase-Rutile TiO2 Composite Thin-Film Exist?

Andreas Kafizas et al.

CHEMISTRY-A EUROPEAN JOURNAL (2012)

添加到收藏夹

Article Chemistry, Physical

A Density Functional Theory and Experimental Study of CO2 Interaction with Brookite TiO2

Monique M. Rodriguez et al.

JOURNAL OF PHYSICAL CHEMISTRY C (2012)

添加到收藏夹

Article Chemistry, Multidisciplinary

Nonaqueous Synthesis of TiO2 Nanocrystals Using TiF4 to Engineer Morphology, Oxygen Vacancy Concentration, and Photocatalytic Activity

Thomas R. Gordon et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2012)

添加到收藏夹

Review Chemistry, Physical

Photocatalytic Water Treatment by Titanium Dioxide: Recent Updates

Manoj A. Lazar et al.

CATALYSTS (2012)

添加到收藏夹

Article Chemistry, Physical

Photocatalytic Activities of Different Well-defined Single Crystal TiO2 Surfaces: Anatase versus Rutile

Amira Y. Ahmed et al.

JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2011)

添加到收藏夹

Review Chemistry, Multidisciplinary

Semiconductor-based Photocatalytic Hydrogen Generation

Xiaobo Chen et al.

CHEMICAL REVIEWS (2010)

添加到收藏夹

Review Chemistry, Multidisciplinary

Solar Water Splitting Cells

Michael G. Walter et al.

CHEMICAL REVIEWS (2010)

添加到收藏夹

Review Chemistry, Multidisciplinary

Single-molecule, single-particle fluorescence imaging of TiO2-based photocatalytic reactions

Takashi Tachikawa et al.

CHEMICAL SOCIETY REVIEWS (2010)

添加到收藏夹

Article Chemistry, Physical

Influence of Subsurface Defects on the Surface Reactivity of TiO2: Water on Anatase (101)

Ulrich Aschauer et al.

JOURNAL OF PHYSICAL CHEMISTRY C (2010)

添加到收藏夹

Article Chemistry, Physical

Interface Water on TiO2 Anatase (101) and (001) Surfaces: First-Principles Study with TiO2 Slabs Dipped in Bulk Water

Masato Sumita et al.

JOURNAL OF PHYSICAL CHEMISTRY C (2010)

添加到收藏夹

Article Engineering, Environmental

Eu(III) Sorption to TiO2 (Anatase and Rutile): Batch, XPS, and EXAFS Studies

Xiaoli Tan et al.

ENVIRONMENTAL SCIENCE & TECHNOLOGY (2009)

添加到收藏夹

Review Chemistry, Physical

Photoelectrocatalytic materials for environmental applications

Huanjun Zhang et al.

JOURNAL OF MATERIALS CHEMISTRY (2009)

添加到收藏夹

Article Chemistry, Physical

Intrinsic Hole Migration Rates in TiO2 from Density Functional Theory

N. Aaron Deskins et al.

JOURNAL OF PHYSICAL CHEMISTRY C (2009)

添加到收藏夹

Article Chemistry, Multidisciplinary

Degree of Rate Control: How Much the Energies of Intermediates and Transition States Control Rates

Carsten Stegelmann et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2009)

添加到收藏夹

Article Chemistry, Physical

Different reactivities of TiO2 polymorphs:: Comparative DFT calculations of water and formic acid adsorption at anatase and brookite TiO2 surfaces

Wei-Kun Li et al.

JOURNAL OF PHYSICAL CHEMISTRY C (2008)

添加到收藏夹

Review Chemistry, Multidisciplinary

Surface science studies of the photoactivation of TiO2-new photochemical processes

Tracy L. Thompson et al.

CHEMICAL REVIEWS (2006)

添加到收藏夹

Article Chemistry, Physical

Monitoring hole trapping in photoexcited TiO2(110) using a surface photoreaction

TL Thompson et al.

JOURNAL OF PHYSICAL CHEMISTRY B (2005)

添加到收藏夹

Article Chemistry, Physical

Development of new photocatalytic water splitting into H2 and O2 using two different semiconductor photocatalysts and a shuttle redox mediator IO3 -/I-

R Abe et al.

JOURNAL OF PHYSICAL CHEMISTRY B (2005)

添加到收藏夹

© Peeref 2019-2024. All rights reserved.