Discovery of new materials using combinatorial synthesis and high-throughput characterization of thin-film materials libraries combined with computational methods

An Inter-Laboratory Study of Zn-Sn-Ti-O Thin Films using High-throughput Experimental Methods

(2019) Jason Hattrick-Simpers et al.   ACS Combinatorial Science

Robust and synthesizable photocatalysts for CO2 reduction: a data-driven materials discovery

(2019) Arunima K. Singh et al.   Nature Communications

Toward a Paradigm Shift in Electrocatalysis Using Complex Solid Solution Nanoparticles

(2019) Tobias Löffler et al.   ACS Energy Letters

Atomic-scale investigation of fast oxidation kinetics of nanocrystalline CrMnFeCoNi thin films

(2018) Y.J. Li et al.   JOURNAL OF ALLOYS AND COMPOUNDS

Accelerated atomic-scale exploration of phase evolution in compositionally complex materials

(2018) Y. J. Li et al.   Materials Horizons

An open experimental database for exploring inorganic materials

(2018) Andriy Zakutayev et al.   Scientific Data

Accelerating the discovery of materials for clean energy in the era of smart automation

(2018) Daniel P. Tabor et al.   Nature Reviews Materials

Thermodynamic limit for synthesis of metastable inorganic materials

(2018) Muratahan Aykol et al.   Science Advances

Data analytics and parallel-coordinate materials property charts

(2018) Jeffrey M. Rickman   npj Computational Materials

Inverse design in search of materials with target functionalities

(2018) Alex Zunger   Nature Reviews Chemistry

Combinatorial Synthesis and High-Throughput Characterization of Fe–V–O Thin-Film Materials Libraries for Solar Water Splitting

(2018) Swati Kumari et al.   ACS Combinatorial Science

Unsupervised phase mapping of X-ray diffraction data by nonnegative matrix factorization integrated with custom clustering

(2018) Valentin Stanev et al.   npj Computational Materials

Discovery of a Multinary Noble Metal-Free Oxygen Reduction Catalyst

(2018) Tobias Löffler et al.   Advanced Energy Materials

Unraveling compositional effects on the light-induced oxygen evolution in Bi(V–Mo–X)O4 material libraries

(2017) R. Gutkowski et al.   Energy & Environmental Science

High-Throughput Structural and Functional Characterization of the Thin Film Materials System Ni–Co–Al

(2017) Peer Decker et al.   ACS Combinatorial Science

Towards efficient data exchange and sharing for big-data driven materials science: metadata and data formats

(2017) Luca M. Ghiringhelli et al.   npj Computational Materials

Comparison of dissimilarity measures for cluster analysis of X-ray diffraction data from combinatorial libraries

(2017) Yuma Iwasaki et al.   npj Computational Materials

Discovery of earth-abundant nitride semiconductors by computational screening and high-pressure synthesis

(2016) Yoyo Hinuma et al.   Nature Communications

Expediting Combinatorial Data Set Analysis by Combining Human and Algorithmic Analysis

(2016) Helge Sören Stein et al.   ACS Combinatorial Science

Automated Phase Mapping with AgileFD and its Application to Light Absorber Discovery in the V–Mn–Nb Oxide System

(2016) Santosh K. Suram et al.   ACS Combinatorial Science

Design of nitride semiconductors for solar energy conversion

(2016) Andriy Zakutayev   Journal of Materials Chemistry A

Discovery of FeBi2

(2016) James P. S. Walsh et al.   ACS Central Science

The FAIR Guiding Principles for scientific data management and stewardship

(2016) Mark D. Wilkinson et al.   Scientific Data

High-Throughput Screening of Thin-Film Semiconductor Material Libraries I: System Development and Case Study for TiWO

(2015) Kirill Sliozberg et al.   ChemSusChem

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

Combinatorial Development of Fe–Co–Nb Thin Film Magnetic Nanocomposites

(2015) Vasileios Alexandrakis et al.   ACS Combinatorial Science

Rapid Identification of Areas of Interest in Thin Film Materials Libraries by Combining Electrical, Optical, X-ray Diffraction, and Mechanical High-Throughput Measurements: A Case Study for the System Ni–Al

(2014) S. Thienhaus 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

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

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

High-throughput synchrotron X-ray diffraction for combinatorial phase mapping

(2014) J. M. Gregoire et al.   JOURNAL OF SYNCHROTRON RADIATION

High-Throughput Fabrication of Au-Cu Nanoparticle Libraries by Combinatorial Sputtering in Ionic Liquids

(2013) Dennis König et al.   ADVANCED FUNCTIONAL MATERIALS

Theoretical Prediction and Experimental Realization of New Stable Inorganic Materials Using the Inverse Design Approach

(2013) Andriy Zakutayev et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

High-Throughput Compositional and Structural Evaluation of a Lia(NixMnyCoz)Or Thin Film Battery Materials Library

(2013) Sara Borhani-Haghighi et al.   ACS Combinatorial Science

AFLOWLIB.ORG: A distributed materials properties repository from high-throughput ab initio calculations

(2012) Stefano Curtarolo et al.   COMPUTATIONAL MATERIALS SCIENCE

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

(2012) Robert Zarnetta et al.   INTERMETALLICS

High-throughput characterization of mechanical properties of Ti–Ni–Cu shape memory thin films at elevated temperature

(2011) R. Zarnetta et al.   MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING

The ferromagnetic shape memory system Fe–Pd–Cu

(2010) S. Hamann et al.   ACTA MATERIALIA

Identification of Quaternary Shape Memory Alloys with Near-Zero Thermal Hysteresis and Unprecedented Functional Stability

(2010) Robert Zarnetta et al.   ADVANCED FUNCTIONAL MATERIALS

R-phase formation in Ti39Ni45Cu16 shape memory thin films and bulk alloys discovered by combinatorial methods

(2009) R. Zarnetta et al.   ACTA MATERIALIA

Development of multifunctional thin films using high-throughput experimentation methods

(2009) Alfred Ludwig et al.   International Journal of Materials Research

Visualization of High-Dimensional Combinatorial Catalysis Data

(2009) Changwon Suh et al.   JOURNAL OF COMBINATORIAL CHEMISTRY

“Ab initio” structure solution from electron diffraction data obtained by a combination of automated diffraction tomography and precession technique

(2009) E. Mugnaioli et al.   ULTRAMICROSCOPY