Fulfilling the promise of the materials genome initiative with high-throughput experimental methodologies

Combinatorial Reactive Sputtering of In2S3 as an Alternative Contact Layer for Thin Film Solar Cells

(2016) Sebastian Siol et al.   ACS Applied Materials & Interfaces

The medicinal chemist's toolbox for late stage functionalization of drug-like molecules

(2016) Tim Cernak et al.   CHEMICAL SOCIETY REVIEWS

A high capacity thiospinel cathode for Mg batteries

(2016) Xiaoqi Sun et al.   Energy & Environmental Science

Development of solar fuels photoanodes through combinatorial integration of Ni–La–Co–Ce oxide catalysts on BiVO4

(2016) D. Guevarra et al.   Energy & Environmental Science

Frustrated Lewis pair-mediated recrystallization of CH3NH3PbI3 for improved optoelectronic quality and high voltage planar perovskite solar cells

(2016) Sagar Motilal Jain et al.   Energy & Environmental Science

Designer Ionic Liquids for Reversible Electrochemical Deposition/Dissolution of Magnesium

(2016) Tylan Watkins et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Materials science with large-scale data and informatics: Unlocking new opportunities

(2016) Joanne Hill et al.   MRS BULLETIN

Advanced materials for SOFC application: Strategies for the development of highly conductive and stable solid oxide proton electrolytes

(2016) D.A. Medvedev et al.   PROGRESS IN MATERIALS SCIENCE

Direct Observation of Reversible Magnesium Ion Intercalation into a Spinel Oxide Host

(2015) Chunjoong Kim et al.   ADVANCED MATERIALS

CuSbSe2photovoltaic devices with 3% efficiency

(2015) Adam W. Welch et al.   Applied Physics Express

Materials Design Rules for Multivalent Ion Mobility in Intercalation Structures

(2015) Ziqin Rong et al.   CHEMISTRY OF MATERIALS

The Electrolyte Genome project: A big data approach in battery materials discovery

(2015) Xiaohui Qu et al.   COMPUTATIONAL MATERIALS SCIENCE

Multi-Scanning Droplet Cell Microscopy (multi-SDCM) for truly parallel high throughput electrochemical experimentation

(2015) Jan Philipp Kollender et al.   ELECTROCHIMICA ACTA

Spinel compounds as multivalent battery cathodes: a systematic evaluation based on ab initio calculations

(2015) Miao Liu et al.   Energy & Environmental Science

Strategy for Extensible, Evolving Terminology for the Materials Genome Initiative Efforts

(2015) Talapady N. Bhat et al.   JOM

Accelerating Electrolyte Discovery for Energy Storage with High-Throughput Screening

(2015) Lei Cheng et al.   Journal of Physical Chemistry Letters

Prospects and Limits of Energy Storage in Batteries

(2015) K. M. Abraham   Journal of Physical Chemistry Letters

Combinatorial PtSnM (M = Fe, Ni, Ru and Pd) nanoparticle catalyst library toward ethanol electrooxidation

(2015) T.S. Almeida et al.   JOURNAL OF POWER SOURCES

A High-Throughput Approach Developing Lithium-Niobium-Tantalum Oxides as Electrolyte/Cathode Interlayers for High-Voltage All-Solid-State Lithium Batteries

(2015) C. Yada et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

Perovskite solar cells: an emerging photovoltaic technology

(2015) Nam-Gyu Park   Materials Today

High-throughput determination of structural phase diagram and constituent phases using GRENDEL

(2015) A G Kusne et al.   NANOTECHNOLOGY

A structure zone diagram obtained by simultaneous deposition on a novel step heater: A case study for Cu2O thin films

(2015) Helge Stein et al.   PHYSICA STATUS SOLIDI A-APPLICATIONS AND MATERIALS SCIENCE

An apparatus for spatially resolved, temperature dependent reflectance measurements for identifying thermochromism in combinatorial thin film libraries

(2015) S. C. Barron et al.   REVIEW OF SCIENTIFIC INSTRUMENTS

TiO 2 /Cu 2 O all-oxide heterojunction solar cells produced by spray pyrolysis

(2015) Michele Pavan et al.   SOLAR ENERGY MATERIALS AND SOLAR CELLS

Material optimization via combinatorial deposition and analysis for thermoelectric thin films

(2015) Ryan D. Snyder et al.   THIN SOLID FILMS

Statistical Analysis and Interpolation of Compositional Data in Materials Science

(2015) Misha Z. Pesenson et al.   ACS Combinatorial Science

Multiphase Nanostructure of a Quinary Metal Oxide Electrocatalyst Reveals a New Direction for OER Electrocatalyst Design

(2015) Joel A. Haber et al.   Advanced Energy Materials

Big Data: Astronomical or Genomical?

(2015) Zachary D. Stephens et al.   PLOS BIOLOGY

Combinatorial Exploration of the Effects of Intrinsic and Extrinsic Defects in Cu $_{\bf 2}$ZnSn(S,Se)$_{\bf 4}$

(2015) A. D. Collord et al.   IEEE Journal of Photovoltaics

Smart Electronic Laboratory Notebooks for the NIST Research Environment

(2015) Richard S. Gates et al.   JOURNAL OF RESEARCH OF THE NATIONAL INSTITUTE OF STANDARDS AND TECHNOLOGY

The Materials Super Highway: Integrating High-Throughput Experimentation into Mapping the Catalysis Materials Genome

(2014) Jason Hattrick-Simpers et al.   CATALYSIS LETTERS

Discovering Ce-rich oxygen evolution catalysts, from high throughput screening to water electrolysis

(2014) Joel A. Haber et al.   Energy & Environmental Science

Exploration and Development of High Entropy Alloys for Structural Applications

(2014) Daniel Miracle et al.   Entropy

Identification of optimal solar fuel electrocatalysts via high throughput in situ optical measurements

(2014) Aniketa Shinde et al.   JOURNAL OF MATERIALS RESEARCH

The use of atomic layer deposition in advanced nanopatterning

(2014) A. J. M. Mackus et al.   Nanoscale

Contemporary screening approaches to reaction discovery and development

(2014) Karl D. Collins et al.   Nature Chemistry

Negative capacitance in a ferroelectric capacitor

(2014) Asif Islam Khan et al.   NATURE MATERIALS

High Throughput Experimentation (HTE) Directed to the Discovery, Characterization and Evaluation of Materials

(2014) John M. Newsam   Oil & Gas Science and Technology-Revue d IFP Energies nouvelles

Combinatorial solar cell libraries for the investigation of different metal back contacts for TiO2–Cu2O hetero-junction solar cells

(2014) S. Rühle et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

A new ultrafast superionic Li-conductor: ion dynamics in Li11Si2PS12and comparison with other tetragonal LGPS-type electrolytes

(2014) Alexander Kuhn et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Large-scale virtual high-throughput screening for the identification of new battery electrolyte solvents: evaluation of electronic structure theory methods

(2014) Martin Korth   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Combinatorial screening for new materials in unconstrained composition space with machine learning

(2014) B. Meredig et al.   PHYSICAL REVIEW B

Coupling of a scanning flow cell with online electrochemical mass spectrometry for screening of reaction selectivity

(2014) Jan-Philipp Grote et al.   REVIEW OF SCIENTIFIC INSTRUMENTS

Quantum Efficiency and Bandgap Analysis for Combinatorial Photovoltaics: Sorting Activity of Cu–O Compounds in All-Oxide Device Libraries

(2014) Assaf Y. Anderson et al.   ACS Combinatorial Science

On-the-fly machine-learning for high-throughput experiments: search for rare-earth-free permanent magnets

(2014) Aaron Gilad Kusne et al.   Scientific Reports

Discovery of New Oxygen Evolution Reaction Electrocatalysts by Combinatorial Investigation of the Ni-La-Co-Ce Oxide Composition Space

(2014) Joel A. Haber et al.   ChemElectroChem

Thin film synthesis and properties of copper nitride, a metastable semiconductor

(2014) Christopher M. Caskey et al.   Materials Horizons

Non-equilibrium deposition of phase pure Cu2O thin films at reduced growth temperature

(2014) Archana Subramaniyan et al.   APL Materials

Particle Size and Support Effects in Electrocatalysis

(2013) Brian E. Hayden   ACCOUNTS OF CHEMICAL RESEARCH

Laser heating and detection of bilayer microcantilevers for non-contact thermodynamic measurements

(2013) Brian G. Burke et al.   APPLIED PHYSICS LETTERS

Combinatorial exploration of rare-earth-free permanent magnets: Magnetic and microstructural properties of Fe-Co-W thin films

(2013) T. R. Gao et al.   APPLIED PHYSICS LETTERS

Non-equilibrium origin of high electrical conductivity in gallium zinc oxide thin films

(2013) Andriy Zakutayev et al.   APPLIED PHYSICS LETTERS

Catalysis by Doped Oxides

(2013) Eric W. McFarland et al.   CHEMICAL REVIEWS

The Particle Size Dependence of the Oxygen Reduction Reaction for Carbon-Supported Platinum and Palladium

(2013) A. Anastasopoulos et al.   ChemSusChem

Applications of high throughput (combinatorial) methodologies to electronic, magnetic, optical, and energy-related materials

(2013) Martin L. Green et al.   JOURNAL OF APPLIED PHYSICS

A Density-Functional Theory-Based Neural Network Potential for Water Clusters Including van der Waals Corrections

(2013) Tobias Morawietz et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Li10SnP2S12: An Affordable Lithium Superionic Conductor

(2013) Philipp Bron et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Combinatorial Techniques to Efficiently Investigate and Optimize Organic Thin Film Processing and Properties

(2013) Florian Wieberger et al.   MOLECULES

The high-throughput highway to computational materials design

(2013) Stefano Curtarolo et al.   NATURE MATERIALS

Combinatorial study of NaF addition in CIGSe films for high efficiency solar cells

(2013) Jessica Eid et al.   PROGRESS IN PHOTOVOLTAICS

A temperature dependent screening tool for high throughput thermoelectric characterization of combinatorial films

(2013) Y. G. Yan et al.   REVIEW OF SCIENTIFIC INSTRUMENTS

Scanning droplet cell for high throughput electrochemical and photoelectrochemical measurements

(2013) John M. Gregoire et al.   REVIEW OF SCIENTIFIC INSTRUMENTS

The Stuff of Dreams

(2013) Gerbrand Ceder et al.   SCIENTIFIC AMERICAN

High-Throughput Investigation of Catalysts for JP-8 Fuel Cracking to Liquefied Petroleum Gas

(2013) John E. Bedenbaugh et al.   ACS Combinatorial Science

Accelerating materials property predictions using machine learning

(2013) Ghanshyam Pilania et al.   Scientific Reports

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

(2013) Anubhav Jain et al.   APL Materials

Phase stability, electrochemical stability and ionic conductivity of the Li10±1MP2X12(M = Ge, Si, Sn, Al or P, and X = O, S or Se) family of superionic conductors

(2012) Shyue Ping Ong et al.   Energy & Environmental Science

High-throughput study of martensitic transformations in the complete Ti–Ni–Cu system

(2012) Robert Zarnetta et al.   INTERMETALLICS

A combinatorial approach to microstructure and thermopower of bulk thermoelectric materials: the pseudo-ternary PbTe–Ag2Te–Sb2Te3 system

(2012) Teruyuki Ikeda et al.   JOURNAL OF MATERIALS CHEMISTRY

A Computational Investigation of Li9M3(P2O7)3(PO4)2(M = V, Mo) as Cathodes for Li Ion Batteries

(2012) Anubhav Jain et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

Finding Density Functionals with Machine Learning

(2012) John C. Snyder et al.   PHYSICAL REVIEW LETTERS

A high-throughput infrastructure for density functional theory calculations

(2011) Anubhav Jain et al.   COMPUTATIONAL MATERIALS SCIENCE

A review of high throughput and combinatorial electrochemistry

(2011) T.H. Muster et al.   ELECTROCHIMICA ACTA

High-throughput measurements of materials properties

(2011) Ji-Cheng Zhao et al.   JOM

Microstructure informatics using higher-order statistics and efficient data-mining protocols

(2011) Surya R. Kalidindi et al.   JOM

Novel mixed polyanions lithium-ion battery cathode materials predicted by high-throughput ab initio computations

(2011) Geoffroy Hautier et al.   JOURNAL OF MATERIALS CHEMISTRY

Synthesis and Electrochemical Properties of Monoclinic LiMnBO[sub 3] as a Li Intercalation Material

(2011) Jae Chul Kim et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

Neural network potential-energy surfaces in chemistry: a tool for large-scale simulations

(2011) Jörg Behler   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

High Throughput Methodology for Synthesis, Screening, and Optimization of Solid State Lithium Ion Electrolytes

(2011) Mark S. Beal et al.   ACS Combinatorial Science

High-Throughput Measurement Method for Time–Temperature-Transformation Diagram of Thin Film Amorphous Alloys

(2010) Yuko Aono et al.   Applied Physics Express

Finding Nature’s Missing Ternary Oxide Compounds Using Machine Learning and Density Functional Theory

(2010) Geoffroy Hautier et al.   CHEMISTRY OF MATERIALS

Rapid Screening of BiVO4-Based Photocatalysts by Scanning Electrochemical Microscopy (SECM) and Studies of Their Photoelectrochemical Properties

(2010) Heechang Ye et al.   Journal of Physical Chemistry C

Gaussian Approximation Potentials: The Accuracy of Quantum Mechanics, without the Electrons

(2010) Albert P. Bartók et al.   PHYSICAL REVIEW LETTERS

Materials informatics: An emerging technology for materials development

(2009) Richard LeSar   Statistical Analysis and Data Mining

Combinatorial and High-Throughput Development of Sensing Materials:  The First 10 Years

(2008) Radislav A. Potyrailo et al.   CHEMICAL REVIEWS

Effects of molybdenum substitution on the photocatalytic behavior of BiVO4

(2008) Weifeng Yao et al.   DALTON TRANSACTIONS

Combinatorial synthesis and high-throughput photopotential and photocurrent screening of mixed-metal oxides for photoelectrochemical water splitting

(2008) Jordan E. Katz et al.   Energy & Environmental Science

High-Throughput Screening for Combinatorial Thin-Film Library of Thermoelectric Materials

(2008) Masaki Watanabe et al.   JOURNAL OF COMBINATORIAL CHEMISTRY

Enhanced thermoelectric performance of rough silicon nanowires

(2008) Allon I. Hochbaum et al.   NATURE

Olefin polymer technologies—History and recent progress at The Dow Chemical Company

(2008) P. Steve Chum et al.   PROGRESS IN POLYMER SCIENCE

Combinatorial study of the crystallinity boundary in the HfO2–TiO2–Y2O3 system using pulsed laser deposition library thin films

(2008) P.K. Schenck et al.   THIN SOLID FILMS