Computational design of flexible electrides with nontrivial band topology

Pressure-Induced Isostructural Antiferromagnetic–Ferromagnetic Transition in an Organic Electride

(2018) Stephen G. Dale et al.   Journal of Physical Chemistry C

Topological Electride Y2C

(2018) Huaqing Huang et al.   NANO LETTERS

First-Principles Prediction of New Electrides with Nontrivial Band Topology Based on One-Dimensional Building Blocks

(2018) Changwon Park et al.   PHYSICAL REVIEW LETTERS

Intermetallic Ca3Pb: a topological zero-dimensional electride material

(2018) Xiaoming Zhang et al.   Journal of Materials Chemistry C

Electrides as a New Platform of Topological Materials

(2018) Motoaki Hirayama et al.   Physical Review X

High-Throughput Identification of Electrides from All Known Inorganic Materials

(2018) Lee A. Burton et al.   CHEMISTRY OF MATERIALS

Exploration of Stable Strontium Phosphide-Based Electrides: Theoretical Structure Prediction and Experimental Validation

(2017) Junjie Wang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Tuning the Spin-Alignment of Interstitial Electrons in Two-Dimensional Y2C Electride via Chemical Pressure

(2017) Jongho Park et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

A stable compound of helium and sodium at high pressure

(2017) Xiao Dong et al.   Nature Chemistry

Kinetic evidence: the rate-determining step for ammonia synthesis over electride-supported Ru catalysts is no longer the nitrogen dissociation step

(2017) Yasukazu Kobayashi et al.   Catalysis Science & Technology

Computer-Assisted Inverse Design of Inorganic Electrides

(2017) Yunwei Zhang et al.   Physical Review X

Structural Diversity and Electron Confinement in Li4N: Potential for 0-D, 2-D, and 3-D Electrides

(2016) Yuta Tsuji et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Water Durable Electride Y5Si3: Electronic Structure and Catalytic Activity for Ammonia Synthesis

(2016) Yangfan Lu et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

First-Principles Prediction of Thermodynamically Stable Two-Dimensional Electrides

(2016) Wenmei Ming et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Dirac Node Lines in Pure Alkali Earth Metals

(2016) Ronghan Li et al.   PHYSICAL REVIEW LETTERS

Transparent amorphous oxide semiconductors for organic electronics: Application to inverted OLEDs

(2016) Hideo Hosono et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Efficient and Stable Ammonia Synthesis by Self-Organized Flat Ru Nanoparticles on Calcium Amide

(2016) Yasunori Inoue et al.   ACS Catalysis

Electron Confinement in Channel Spaces for One-Dimensional Electride

(2015) Yaoqing Zhang et al.   Journal of Physical Chemistry Letters

Mechanism Switching of Ammonia Synthesis Over Ru-Loaded Electride Catalyst at Metal–Insulator Transition

(2015) Shinji Kanbara et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Superconductivity in room-temperature stable electride and high-pressure phases of alkali metals

(2015) H. Hosono et al.   PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES

Two dimensional inorganic electride-promoted electron transfer efficiency in transfer hydrogenation of alkynes and alkenes

(2015) Ye Ji Kim et al.   Chemical Science

Electride support boosts nitrogen dissociation over ruthenium catalyst and shifts the bottleneck in ammonia synthesis

(2015) Masaaki Kitano et al.   Nature Communications

High-Throughput ab Initio Screening for Two-Dimensional Electride Materials

(2014) Tomofumi Tada et al.   INORGANIC CHEMISTRY

NH2– Dianion Entrapped in a Nanoporous 12CaO·7Al2O3 Crystal by Ammonothermal Treatment: Reaction Pathways, Dynamics, and Chemical Stability

(2014) Fumitaka Hayashi et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Enhanced N2 Dissociation on Ru-Loaded Inorganic Electride

(2014) Navaratnarajah Kuganathan et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Elastic strain engineering for unprecedented materials properties

(2014) Ju Li et al.   MRS BULLETIN

Density-functional description of electrides

(2014) Stephen G. Dale et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Ground-state phase in the three-dimensional topological Dirac semimetalNa3Bi

(2014) Xiyue Cheng et al.   PHYSICAL REVIEW B

Exploration for Two-Dimensional Electrides via Database Screening andAb InitioCalculation

(2014) Takeshi Inoshita et al.   Physical Review X

Dicalcium nitride as a two-dimensional electride with an anionic electron layer

(2013) Kimoon Lee et al.   NATURE

Novel stable compounds in the Mg–O system under high pressure

(2013) Qiang Zhu et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

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

(2013) Anubhav Jain et al.   APL Materials

New developments in evolutionary structure prediction algorithm USPEX

(2012) Andriy O. Lyakhov et al.   COMPUTER PHYSICS COMMUNICATIONS

Ammonia synthesis using a stable electride as an electron donor and reversible hydrogen store

(2012) Masaaki Kitano et al.   Nature Chemistry

Dirac semimetal and topological phase transitions inA3Bi (A=Na, K, Rb)

(2012) Zhijun Wang et al.   PHYSICAL REVIEW B

Van der Waals density functionals applied to solids

(2011) Jiří Klimeš et al.   PHYSICAL REVIEW B

Predicted Pressure-Induceds-Band Ferromagnetism in Alkali Metals

(2011) Chris J. Pickard et al.   PHYSICAL REVIEW LETTERS

Electrides: Early Examples of Quantum Confinement

(2009) James L. Dye   ACCOUNTS OF CHEMICAL RESEARCH

Direct observation of a pressure-induced metal-to-semiconductor transition in lithium

(2009) Takahiro Matsuoka et al.   NATURE

Transparent dense sodium

(2009) Yanming Ma et al.   NATURE

Two classes of superconductors discovered in our material research: Iron-based high temperature superconductor and electride superconductor

(2009) Hideo Hosono   PHYSICA C-SUPERCONDUCTIVITY AND ITS APPLICATIONS

Dense Low-Coordination Phases of Lithium

(2009) Chris J. Pickard et al.   PHYSICAL REVIEW LETTERS

First-principles calculations of the ferroelastic transition between rutile-type andCaCl2-typeSiO2at high pressures

(2008) Atsushi Togo et al.   PHYSICAL REVIEW B