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

Topological Dirac nodal lines and surface charges in fcc alkaline earth metals

(2017) Motoaki Hirayama et al.   Nature Communications

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

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

Topological node-line semimetal in three-dimensional graphene networks

(2015) Hongming Weng et al.   PHYSICAL REVIEW B

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

(2014) Tomofumi Tada et al.   INORGANIC CHEMISTRY

Hydrotrifluoromethylation and iodotrifluoromethylation of alkenes and alkynes using an inorganic electride as a radical generator

(2014) Sungkyu Choi et al.   Nature Communications

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

(2013) Kimoon Lee et al.   NATURE

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

(2013) Anubhav Jain et al.   APL Materials

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

(2012) Masaaki Kitano et al.   Nature Chemistry

Crystal Structures of Dense Lithium: A Metal-Semiconductor-Metal Transition

(2011) M. Marqués et al.   PHYSICAL REVIEW LETTERS

Sodium: A Charge-Transfer Insulator at High Pressures

(2010) Matteo Gatti et al.   PHYSICAL REVIEW LETTERS

Transparent dense sodium

(2009) Yanming Ma et al.   NATURE

Potassium under Pressure: A Pseudobinary Ionic Compound

(2009) M. Marqués et al.   PHYSICAL REVIEW LETTERS

Accurate Molecular Van Der Waals Interactions from Ground-State Electron Density and Free-Atom Reference Data

(2009) Alexandre Tkatchenko et al.   PHYSICAL REVIEW LETTERS