Stress effects on the initial lithiation of crystalline silicon nanowires: reactive molecular dynamics simulations using ReaxFF

ReaxFF molecular dynamics simulations on lithiated sulfur cathode materials

(2015) Md Mahbubul Islam et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

A chemo-mechanical model of lithiation in silicon

(2014) Hui Yang et al.   JOURNAL OF THE MECHANICS AND PHYSICS OF SOLIDS

Theory of Structural Transformation in Lithiated Amorphous Silicon

(2014) Ekin D. Cubuk et al.   NANO LETTERS

Bending-Induced Symmetry Breaking of Lithiation in Germanium Nanowires

(2014) Meng Gu et al.   NANO LETTERS

Tough Germanium Nanoparticles under Electrochemical Cycling

(2013) Wentao Liang et al.   ACS Nano

Reactive Potentials for Advanced Atomistic Simulations

(2013) Tao Liang et al.   Annual Review of Materials Research

Lithiation induced corrosive fracture in defective carbon nanotubes

(2013) Xu Huang et al.   APPLIED PHYSICS LETTERS

Self-weakening in lithiated graphene electrodes

(2013) Hui Yang et al.   CHEMICAL PHYSICS LETTERS

Insights into Degradation of Si Anodes from First-Principle Calculations

(2013) Jochen Rohrer et al.   Journal of Physical Chemistry C

Mechanical properties of amorphous LixSi alloys: a reactive force field study

(2013) Feifei Fan et al.   MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING

Morphological Evolution of Si Nanowires upon Lithiation: A First-Principles Multiscale Model

(2013) Ekin D. Cubuk et al.   NANO LETTERS

Size-Dependent Fracture of Silicon Nanoparticles During Lithiation

(2012) Xiao Hua Liu et al.   ACS Nano

Self-Limiting Lithiation in Silicon Nanowires

(2012) Xiao Hua Liu et al.   ACS Nano

Studying the Kinetics of Crystalline Silicon Nanoparticle Lithiation with In Situ Transmission Electron Microscopy

(2012) Matthew T. McDowell et al.   ADVANCED MATERIALS

Self-Limiting Oxidation in Small-Diameter Si Nanowires

(2012) U. Khalilov et al.   CHEMISTRY OF MATERIALS

Diffusion of Lithium in Bulk Amorphous Silicon: A Theoretical Study

(2012) Georgios A. Tritsaris et al.   Journal of Physical Chemistry C

Real-time stress measurements in lithium-ion battery negative-electrodes

(2012) V.A. Sethuraman et al.   JOURNAL OF POWER SOURCES

First Principles Simulations of the Electrochemical Lithiation and Delithiation of Faceted Crystalline Silicon

(2012) Maria K. Y. Chan et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Orientation-Dependent Interfacial Mobility Governs the Anisotropic Swelling in Lithiated Silicon Nanowires

(2012) Hui Yang et al.   NANO LETTERS

Kinetics of Initial Lithiation of Crystalline Silicon Electrodes of Lithium-Ion Batteries

(2012) Matt Pharr et al.   NANO LETTERS

Reactive Flow in Silicon Electrodes Assisted by the Insertion of Lithium

(2012) Kejie Zhao et al.   NANO LETTERS

Anisotropic Volume Expansion of Crystalline Silicon during Electrochemical Lithium Insertion: An Atomic Level Rationale

(2012) Sung Chul Jung et al.   NANO LETTERS

In situ atomic-scale imaging of electrochemical lithiation in silicon

(2012) Xiao Hua Liu et al.   Nature Nanotechnology

Fracture of crystalline silicon nanopillars during electrochemical lithium insertion

(2012) S. W. Lee et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Structure and Properties of Li−Si Alloys: A First-Principles Study

(2011) Hyunwoo Kim et al.   Journal of Physical Chemistry C

Silicon-Based Negative Electrode for High-Capacity Lithium-Ion Batteries: “SiO”-Carbon Composite

(2011) Masayuki Yamada et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

Concurrent Reaction and Plasticity during Initial Lithiation of Crystalline Silicon in Lithium-Ion Batteries

(2011) Kejie Zhao et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

The Mixing Mechanism during Lithiation of Si Negative Electrode in Li-Ion Batteries: An Ab Initio Molecular Dynamics Study

(2011) Priya Johari et al.   NANO LETTERS

Lithium-Assisted Plastic Deformation of Silicon Electrodes in Lithium-Ion Batteries: A First-Principles Theoretical Study

(2011) Kejie Zhao et al.   NANO LETTERS

Anisotropic Swelling and Fracture of Silicon Nanowires during Lithiation

(2011) Xiao Hua Liu et al.   NANO LETTERS

Anomalous Shape Changes of Silicon Nanopillars by Electrochemical Lithiation

(2011) Seok Woo Lee et al.   NANO LETTERS

Real-Time Measurement of Stress and Damage Evolution during Initial Lithiation of Crystalline Silicon

(2011) M. J. Chon et al.   PHYSICAL REVIEW LETTERS

On the Nature and Behavior of Li Atoms in Si: A First Principles Study

(2010) Hyunwoo Kim et al.   Journal of Physical Chemistry C

In situ measurements of stress evolution in silicon thin films during electrochemical lithiation and delithiation

(2010) Vijay A. Sethuraman et al.   JOURNAL OF POWER SOURCES

Deformations in Si−Li Anodes Upon Electrochemical Alloying in Nano-Confined Space

(2010) Benjamin Hertzberg et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

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

Roles of nanosize in lithium reactive nanomaterials for lithium ion batteries

(2010) Kyu Tae Lee et al.   Nano Today

First Principles Model of Amorphous Silicon Lithiation

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

ReaxFF Reactive Force Field for Molecular Dynamics Simulations of Hydrocarbon Oxidation

(2008) Kimberly Chenoweth et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Crystalline-Amorphous Core−Shell Silicon Nanowires for High Capacity and High Current Battery Electrodes

(2008) Li-Feng Cui et al.   NANO LETTERS