Pressure-induced evolution of stoichiometries and electronic structures of host–guest Na–B compounds

Chemical interactions that govern the structures of metals

(2023) Yuanhui Sun et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Lithium superionic conductors with corner-sharing frameworks

(2022) KyuJung Jun et al.   NATURE MATERIALS

High-Temperature Superconducting Phase in Clathrate Calcium Hydride CaH6 up to 215 K at a Pressure of 172 GPa

(2022) Liang Ma et al.   PHYSICAL REVIEW LETTERS

Structural complexity in ramp-compressed sodium to 480 GPa

(2022) Danae N. Polsin et al.   Nature Communications

Superconductivity above 200 K discovered in superhydrides of calcium

(2022) Zhiwen Li et al.   Nature Communications

Prediction of Above-Room-Temperature Superconductivity in Lanthanide/Actinide Extreme Superhydrides

(2022) Xin Zhong et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Pressure Stabilized Lithium-Aluminum Compounds with Both Superconducting and Superionic Behaviors

(2022) Xiaomeng Wang et al.   PHYSICAL REVIEW LETTERS

Electronically Driven 1D Cooperative Diffusion in a Simple Cubic Crystal

(2021) Yong Wang et al.   Physical Review X

Fabrication of Alkali Metal Boride: Honeycomb‐Like Structured NaB 4 with High Hardness and Excellent Electrical Conductivity

(2021) Bo Zhao et al.   ADVANCED FUNCTIONAL MATERIALS

Proposed Superconducting Electride Li6C by sp -Hybridized Cage States at Moderate Pressures

(2021) Zhao Liu et al.   PHYSICAL REVIEW LETTERS

A superconducting boron allotrope featuring anticlinal pentapyramids

(2021) Zhi Cui et al.   Journal of Materials Chemistry C

Abnormally Low Activation Energy in Cubic Na3SbS4 Superionic Conductors

(2020) Qian Zhang et al.   CHEMISTRY OF MATERIALS

Plastic and Superionic Helium Ammonia Compounds under High Pressure and High Temperature

(2020) Cong Liu et al.   Physical Review X

Evidence for Superconductivity above 260 K in Lanthanum Superhydride at Megabar Pressures

(2019) Maddury Somayazulu et al.   PHYSICAL REVIEW LETTERS

Predicted Pressure-Induced Superconducting Transition in Electride Li6P

(2019) Ziyuan Zhao et al.   PHYSICAL REVIEW LETTERS

Superconductivity at 250 K in lanthanum hydride under high pressures

(2019) A. P. Drozdov et al.   NATURE

Route to a Superconducting Phase above Room Temperature in Electron-Doped Hydride Compounds under High Pressure

(2019) Ying Sun et al.   PHYSICAL REVIEW LETTERS

Superconducting Open-Framework Allotrope of Silicon at Ambient Pressure

(2018) Ha-Jun Sung et al.   PHYSICAL REVIEW LETTERS

A stable compound of helium and sodium at high pressure

(2017) Xiao Dong et al.   Nature Chemistry

Novel magnesium borides and their superconductivity

(2017) M. Mahdi Davari Esfahani et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Hydrogen Clathrate Structures in Rare Earth Hydrides at High Pressures: Possible Route to Room-Temperature Superconductivity

(2017) Feng Peng et al.   PHYSICAL REVIEW LETTERS

Potential high-Tcsuperconducting lanthanum and yttrium hydrides at high pressure

(2017) Hanyu Liu et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Ru-Loaded C12A7:e– Electride as a Catalyst for Ammonia Synthesis

(2017) Michikazu Hara et al.   ACS Catalysis

Coexistence of Superconductivity and Superhardness in Beryllium Hexaboride Driven by Inherent Multicenter Bonding

(2016) Lailei Wu et al.   Journal of Physical Chemistry Letters

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

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

The structures and properties of (AgCl)n (n=2–13)

(2016) Yue-Hong Yin et al.   Computational and Theoretical Chemistry

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

(2015) A. P. Drozdov et al.   NATURE

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

Electronic and structural ground state of heavy alkali metals at high pressure

(2015) G. Fabbris et al.   PHYSICAL REVIEW B

Metallic Icosahedron Phase of Sodium at Terapascal Pressures

(2015) Yinwei Li et al.   PHYSICAL REVIEW LETTERS

Pressure-induced metallization of dense (H2S)2H2 with high-T c superconductivity

(2014) Defang Duan et al.   Scientific Reports

CALYPSO: A method for crystal structure prediction

(2012) Yanchao Wang et al.   COMPUTER PHYSICS COMMUNICATIONS

Predicted Lithium–Boron Compounds under High Pressure

(2012) Feng Peng et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

LiB and its boron-deficient variants under pressure

(2012) Andreas Hermann et al.   PHYSICAL REVIEW B

Exotic high pressure behavior of light alkali metals, lithium and sodium

(2011) B. Rousseau et al.   EUROPEAN PHYSICAL JOURNAL B

Pressure-Stabilized Sodium Polyhydrides:NaHn(n>1)

(2011) Pio Baettig et al.   PHYSICAL REVIEW LETTERS

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

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

Crystal structure prediction via particle-swarm optimization

(2010) Yanchao Wang et al.   PHYSICAL REVIEW B

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

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

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

(2009) Takahiro Matsuoka et al.   NATURE

Ionic high-pressure form of elemental boron

(2009) Artem R. Oganov et al.   NATURE

Transparent dense sodium

(2009) Yanming Ma et al.   NATURE

High-pressure structures of lithium, potassium, and rubidium predicted by anab initioevolutionary algorithm

(2008) Yanming Ma et al.   PHYSICAL REVIEW B

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

(2008) Atsushi Togo et al.   PHYSICAL REVIEW B