Machine Learning‐Aided Crystal Facet Rational Design with Ionic Liquid Controllable Synthesis

Structural‐Phase Catalytic Redox Reactions in Energy and Environmental Applications

(2020) Nasir Uddin et al.   ADVANCED MATERIALS

A Critical Review of Machine Learning of Energy Materials

(2020) Chi Chen et al.   Advanced Energy Materials

Photocatalytic water splitting with a quantum efficiency of almost unity

(2020) Tsuyoshi Takata et al.   NATURE

A Database of Ionic Transport Characteristics for Over 29 000 Inorganic Compounds

(2020) Liwen Zhang et al.   ADVANCED FUNCTIONAL MATERIALS

Artificial Chemist: An Autonomous Quantum Dot Synthesis Bot

(2020) Robert W. Epps et al.   ADVANCED MATERIALS

Hierarchically Structured Allotropes of Phosphorus from Data‐Driven Exploration

(2020) Volker L. Deringer et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Co‐crystal Prediction by Artificial Neural Networks

(2020) Jan‐Joris Devogelaer et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Computational planning of the synthesis of complex natural products

(2020) Barbara Mikulak-Klucznik et al.   NATURE

A universal system for digitization and automatic execution of the chemical synthesis literature

(2020) S. Hessam M. Mehr et al.   SCIENCE

Morphology and crystal facet-dependent activation mechanism of persulfate by V2O5 nanomaterials for organic pollutants degradation

(2020) Xiaohua Ren et al.   SEPARATION AND PURIFICATION TECHNOLOGY

Effect of Cu Doping on the Anatase-to-Rutile Phase Transition in TiO2 Photocatalysts: Theory and Experiments

(2019) Ciara Byrne et al.   APPLIED CATALYSIS B-ENVIRONMENTAL

Designing in the Face of Uncertainty: Exploiting Electronic Structure and Machine Learning Models for Discovery in Inorganic Chemistry

(2019) Jon Paul Janet et al.   INORGANIC CHEMISTRY

Crystal Facet Engineering of Photoelectrodes for Photoelectrochemical Water Splitting

(2019) Songcan Wang et al.   CHEMICAL REVIEWS

New frontiers for the materials genome initiative

(2019) Juan J. de Pablo et al.   npj Computational Materials

Enhanced Generation of Reactive Oxygen Species under Visible Light Irradiation by Adjusting the Exposed Facet of FeWO4 Nanosheets To Activate Oxalic Acid for Organic Pollutant Removal and Cr(VI) Reduction

(2019) Jun Li et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

Recent advances and applications of machine learning in solid-state materials science

(2019) Jonathan Schmidt et al.   npj Computational Materials

Enhancing materials property prediction by leveraging computational and experimental data using deep transfer learning

(2019) Dipendra Jha et al.   Nature Communications

Machine Learning for Catalysis Informatics: Recent Applications and Prospects

(2019) Takashi Toyao et al.   ACS Catalysis

Future scientific publishing: what should be inherited and changed?

(2019) Zhonghe Zhou   National Science Review

Metal–Organic Frameworks-Derived Hierarchical Co3O4 Structures as Efficient Sensing Materials for Acetone Detection

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

A Facet-Dependent Schottky-Junction Electron Shuttle in a BiVO4 {010}-Au-Cu2 O Z-Scheme Photocatalyst for Efficient Charge Separation

(2018) Chenguang Zhou et al.   ADVANCED FUNCTIONAL MATERIALS

First-principles atomistic Wulff constructions for an equilibrium rutile TiO 2 shape modeling

(2018) Fengzhou Jiang et al.   APPLIED SURFACE SCIENCE

The synergistic elimination of uranium (VI) species from aqueous solution using bi-functional nanocomposite of carbon sphere and layered double hydroxide

(2018) Xiangxue Wang et al.   CHEMICAL ENGINEERING JOURNAL

Epitaxial facet junctions on TiO2 single crystals for efficient photocatalytic water splitting

(2018) Ai-Yong Zhang et al.   Energy & Environmental Science

decryst: an efficient software suite for structure determination from powder diffraction

(2018) Yu Liu   JOURNAL OF APPLIED CRYSTALLOGRAPHY

Charge separation via asymmetric illumination in photocatalytic Cu2O particles

(2018) Ruotian Chen et al.   Nature Energy

Thickness-Dependent Facet Junction Control of Layered BiOIO3 Single Crystals for Highly Efficient CO2 Photoreduction

(2018) Fang Chen et al.   ADVANCED FUNCTIONAL MATERIALS

Prediction of Carbon Dioxide Adsorption via Deep Learning

(2018) Zihao Zhang et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Inverse Wulff construction for surface energies of coexisting and missing surfaces of crystal particles

(2018) Fuming Lai et al.   JOURNAL OF CRYSTAL GROWTH

The selective deposition of MoS2 nanosheets onto (101) facets of TiO2 nanosheets with exposed (001) facets and their enhanced photocatalytic H2 production

(2018) Xiaolin Hu et al.   APPLIED CATALYSIS B-ENVIRONMENTAL

Functionalized structures based on shape-controlled TiO2

(2018) M. Synowiec et al.   APPLIED SURFACE SCIENCE

Predicting crystal growth via a unified kinetic three-dimensional partition model

(2017) Michael W. Anderson et al.   NATURE

Wave Functions, Density Functionals, and Artificial Intelligence for Materials and Energy Research: Future Prospects and Challenges

(2017) Martín A. Mosquera et al.   ACS Energy Letters

New Geometrical Modeling To Study Crystal Morphology

(2016) Harsh Yadav et al.   CRYSTAL GROWTH & DESIGN

Facet-dependent photovoltaic efficiency variations in single grains of hybrid halide perovskite

(2016) Sibel Y. Leblebici et al.   Nature Energy

Toward Enhanced Photocatalytic Oxygen Evolution: Synergetic Utilization of Plasmonic Effect and Schottky Junction via Interfacing Facet Selection

(2015) Song Bai et al.   ADVANCED MATERIALS

Morphology engineering of high performance binary oxide electrodes

(2015) Kunfeng Chen et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Kinetic and Thermodynamic Modified Wulff Constructions for Twinned Nanoparticles

(2013) Emilie Ringe et al.   Journal of Physical Chemistry C

Spatial separation of photogenerated electrons and holes among {010} and {110} crystal facets of BiVO4

(2013) Rengui Li et al.   Nature Communications

A new insight into regulating high energy facets of rutile TiO2

(2013) Zhuangchai Lai et al.   Journal of Materials Chemistry A

Commentary: The Materials Project: A materials genome approach to accelerating materials innovation

(2013) Anubhav Jain et al.   APL Materials

Full Solution-Processed Synthesis of All Metal Oxide-Based Tree-like Heterostructures on Fluorine-Doped Tin Oxide for Water Splitting

(2012) Zongyou Yin et al.   ADVANCED MATERIALS

Naturally occurring iron oxide nanoparticles: morphology, surface chemistry and environmental stability

(2012) Haibo Guo et al.   Journal of Materials Chemistry A

Shape- and Size-Controlled Synthesis of Uniform Anatase TiO2 Nanocuboids Enclosed by Active {100} and {001} Facets

(2011) Xiaowei Zhao et al.   ADVANCED FUNCTIONAL MATERIALS

Crystal facet engineering of semiconductor photocatalysts: motivations, advances and unique properties

(2011) Gang Liu et al.   CHEMICAL COMMUNICATIONS

Thermodynamic modelling of nanomorphologies of hematite and goethite

(2011) Haibo Guo et al.   JOURNAL OF MATERIALS CHEMISTRY

Facet Effect of Single-Crystalline Ag3PO4Sub-microcrystals on Photocatalytic Properties

(2011) Yingpu Bi et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Synthesis of Cu2O Nanocrystals from Cubic to Rhombic Dodecahedral Structures and Their Comparative Photocatalytic Activity

(2011) Wan-Chen Huang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Tetragonal faceted-nanorods of anatase TiO2 single crystals with a large percentage of active {100} facets

(2010) Jianming Li et al.   CHEMICAL COMMUNICATIONS

Manganese oxide-based materials as electrochemical supercapacitor electrodes

(2010) Weifeng Wei et al.   CHEMICAL SOCIETY REVIEWS

Constructing Hierarchical Spheres from Large Ultrathin Anatase TiO2Nanosheets with Nearly 100% Exposed (001) Facets for Fast Reversible Lithium Storage

(2010) Jun Song Chen et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Anatase TiO2 nanosheets with exposed (001) facets: improved photoelectric conversion efficiency in dye-sensitized solar cells

(2010) Jiaguo Yu et al.   Nanoscale

Synthesis of Tin Dioxide Octahedral Nanoparticles with Exposed High-Energy {221} Facets and Enhanced Gas-Sensing Properties

(2009) Xiguang Han et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Anatase TiO2 single crystals with a large percentage of reactive facets

(2008) Hua Gui Yang et al.   NATURE