Thermodynamically stable lithium silicides and germanides from density functional theory calculations

The Effects of Different Core–Shell Structures on the Electrochemical Performances of Si–Ge Nanorod Arrays as Anodes for Micro-Lithium Ion Batteries

(2014) Yingjian Yu et al.   ACS Applied Materials & Interfaces

Hierarchical Porous Framework of Si-Based Electrodes for Minimal Volumetric Expansion

(2014) Daniela Molina Piper et al.   ADVANCED MATERIALS

Li–Si phase diagram: Enthalpy of mixing, thermodynamic stability, and coherent assessment

(2014) M. Helena Braga et al.   JOURNAL OF ALLOYS AND COMPOUNDS

On the origin of the significant difference in lithiation behavior between silicon and germanium

(2014) Chia-Yun Chou et al.   JOURNAL OF POWER SOURCES

Microstructural evolution induced by micro-cracking during fast lithiation of single-crystalline silicon

(2014) Yong Seok Choi et al.   JOURNAL OF POWER SOURCES

Silicon-based materials as high capacity anodes for next generation lithium ion batteries

(2014) Bo Liang et al.   JOURNAL OF POWER SOURCES

Revealing lithium–silicide phase transformations in nano-structured silicon-based lithium ion batteries via in situ NMR spectroscopy

(2014) K. Ogata et al.   Nature Communications

Revision of the Li–Si Phase Diagram: Discovery and Single-Crystal X-ray Structure Determination of the High-Temperature Phase Li4.11Si

(2013) Michael Zeilinger et al.   CHEMISTRY OF MATERIALS

Single Crystal Growth and Thermodynamic Stability of Li17Si4

(2013) Michael Zeilinger et al.   CHEMISTRY OF MATERIALS

Trapping of He in intrinsic defects in zirconolite

(2013) Jack Mulroue et al.   JOURNAL OF NUCLEAR MATERIALS

Destabilization of LiH by Li Insertion into Ge

(2013) Ankur Jain et al.   Journal of Physical Chemistry C

Synthesis of Single-Phase LiSi by Ball-Milling: Electrochemical Behavior and Hydrogenation Properties

(2013) Wan Si Tang et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

Structures, phase stabilities, and electrical potentials of Li-Si battery anode materials

(2013) William W. Tipton et al.   PHYSICAL REVIEW B

Lithiation of silicon via lithium Zintl-defect complexes from first principles

(2013) Andrew J. Morris et al.   PHYSICAL REVIEW B

Inorganic Double-Helix Structures of Unusually Simple Lithium-Phosphorus Species

(2012) Alexander S. Ivanov et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Opportunities and challenges for a sustainable energy future

(2012) Steven Chu et al.   NATURE

Si/Ge Double-Layered Nanotube Array as a Lithium Ion Battery Anode

(2011) Taeseup Song et al.   ACS Nano

Ab initiorandom structure searching

(2011) Chris J Pickard et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Ab initiostudy of intrinsic defects in zirconolite

(2011) Jack Mulroue et al.   PHYSICAL REVIEW B

Energetics of hydrogen/lithium complexes in silicon analyzed using the Maxwell construction

(2011) Andrew J. Morris et al.   PHYSICAL REVIEW B

First principles studies of silicon as a negative electrode material for lithium-ion batteries

(2010) V. L. Chevrier et al.   CANADIAN JOURNAL OF PHYSICS

Li-alloy based anode materials for Li secondary batteries

(2010) Cheol-Min Park et al.   CHEMICAL SOCIETY REVIEWS

Performance of electrochemically generated Li21Si5 phase for lithium-ion batteries

(2010) Ji Y. Kwon et al.   ELECTROCHIMICA ACTA

First principles study of Li–Si crystalline phases: Charge transfer, electronic structure, and lattice vibrations

(2010) V.L. Chevrier et al.   JOURNAL OF ALLOYS AND COMPOUNDS

Pair Distribution Function Analysis and Solid State NMR Studies of Silicon Electrodes for Lithium Ion Batteries: Understanding the (De)lithiation Mechanisms

(2010) Baris Key et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

First Principles Studies of Disordered Lithiated Silicon

(2010) V. L. Chevrier et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

Synthesis and revised structure of the Zintl phase Li7Ge12

(2010) Florian Kiefer et al.   SOLID STATE SCIENCES

First-Principle Calculation-Assisted Structural Study on the Nanoscale Phase Transition of Si for Li-Ion Secondary Batteries

(2009) Yong-Mook Kang et al.   INORGANIC CHEMISTRY

Li-Si (Lithium-Silicon)

(2009) H. Okamoto   JOURNAL OF PHASE EQUILIBRIA AND DIFFUSION

Real-Time NMR Investigations of Structural Changes in Silicon Electrodes for Lithium-Ion Batteries

(2009) Baris Key et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

First Principles Model of Amorphous Silicon Lithiation

(2009) V. L. Chevrier et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

Hydrogen/nitrogen/oxygen defect complexes in silicon from computational searches

(2009) Andrew J. Morris et al.   PHYSICAL REVIEW B

Electrochemical Characterizations of Germanium and Carbon-Coated Germanium Composite Anode for Lithium-Ion Batteries

(2008) Sukeun Yoon et al.   ELECTROCHEMICAL AND SOLID STATE LETTERS

Hydrogen/silicon complexes in silicon from computational searches

(2008) Andrew J. Morris et al.   PHYSICAL REVIEW B

Electronic structure of LiSi

(2007) Yoshiyuki Kubota et al.   JOURNAL OF ALLOYS AND COMPOUNDS