The exotically stoichiometric compounds in Al–S system under high pressure

Predicted Pressure-Induced Superconducting Transition in Electride Li6P

(2019) Ziyuan Zhao et al.   PHYSICAL REVIEW LETTERS

An Aluminum-Sulfur Battery with a Fast Kinetic Response

(2018) Huicong Yang et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Iron Superhydrides FeH5 and FeH6: Stability, Electronic Properties, and Superconductivity

(2018) Alexander G. Kvashnin et al.   Journal of Physical Chemistry C

High-Throughput Identification of Electrides from All Known Inorganic Materials

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

Pressure-Stabilized Semiconducting Electrides in Alkaline-Earth-Metal Subnitrides

(2017) Yunwei Zhang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

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

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

Synthesis of FeH5: A layered structure with atomic hydrogen slabs

(2017) C. M. Pépin et al.   SCIENCE

Electrochemical Energy Storage with a Reversible Nonaqueous Room-Temperature Aluminum-Sulfur Chemistry

(2017) Xingwen Yu et al.   Advanced Energy Materials

An Overview and Future Perspectives of Aluminum Batteries

(2016) Giuseppe Antonio Elia et al.   ADVANCED MATERIALS

LOBSTER: A tool to extract chemical bonding from plane-wave based DFT

(2016) Stefan Maintz et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

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

Evidence for Anionic Excess Electrons in a Quasi-Two-Dimensional Ca2N Electride by Angle-Resolved Photoemission Spectroscopy

(2016) Ji Seop Oh et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Gold as a 6p-Element in Dense Lithium Aurides

(2016) Guochun Yang 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

The O2-assisted Al/CO2 electrochemical cell: A system for CO2 capture/conversion and electric power generation

(2016) W. I. Al Sadat et al.   Science Advances

High-Pressure Electrides: The Chemical Nature of Interstitial Quasiatoms

(2015) Mao-sheng Miao et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Anionic Chemistry of Noble Gases: Formation of Mg–NG (NG = Xe, Kr, Ar) Compounds under Pressure

(2015) Mao-sheng Miao et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Conventional superconductivity at 203 kelvin at high pressures in the sulfur hydride system

(2015) A. P. Drozdov et al.   NATURE

Pressure-induced decomposition of solid hydrogen sulfide

(2015) Defang Duan et al.   PHYSICAL REVIEW B

High Pressure Electrides: A Predictive Chemical and Physical Theory

(2014) Mao-Sheng Miao et al.   ACCOUNTS OF CHEMICAL RESEARCH

The metallization and superconductivity of dense hydrogen sulfide

(2014) Yinwei Li et al.   JOURNAL OF CHEMICAL PHYSICS

Aluminum based sulfide solid lithium ionic conductors for all solid state batteries

(2014) S. Amaresh et al.   Nanoscale

Analytic projection from plane-wave and PAW wavefunctions and application to chemical-bonding analysis in solids

(2013) Stefan Maintz et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

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

(2013) Kimoon Lee et al.   NATURE

Caesium in high oxidation states and as a p-block element

(2013) Mao-sheng Miao   Nature Chemistry

Crystal Orbital Hamilton Population (COHP) Analysis As Projected from Plane-Wave Basis Sets

(2011) Volker L. Deringer et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Crystal Structures and Exotic Behavior of Magnesium under Pressure

(2010) Peifang Li et al.   Journal of Physical Chemistry C

Aluminium at terapascal pressures

(2010) Chris J. Pickard et al.   NATURE MATERIALS

Crystal structure prediction via particle-swarm optimization

(2010) Yanchao Wang et al.   PHYSICAL REVIEW B

Direct Synthesis of Powdery Inorganic Electride [Ca24Al28O64]4+(e−)4and Determination of Oxygen Stoichiometry

(2009) Satoru Matsuishi et al.   CHEMISTRY OF MATERIALS

QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials

(2009) Paolo Giannozzi et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Transparent dense sodium

(2009) Yanming Ma et al.   NATURE

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

(2008) Atsushi Togo et al.   PHYSICAL REVIEW B