Insights into the Li Intercalation and SEI Formation on LiSi Nanoclusters

Pomegranate-Like Silicon/Nitrogen-doped Graphene Microspheres as Superior-Capacity Anode for Lithium-Ion Batteries

(2016) Jie Lin et al.   ELECTROCHIMICA ACTA

Open Framework Allotropes of Silicon: Potential Anode Materials for Na and Li-ion Batteries

(2016) Asma Marzouk et al.   ELECTROCHIMICA ACTA

Scaling Atomic Partial Charges of Carbonate Solvents for Lithium Ion Solvation and Diffusion

(2016) Mangesh I. Chaudhari et al.   Journal of Chemical Theory and Computation

Solid Electrolyte Interphase Growth and Capacity Loss in Silicon Electrodes

(2016) Alison L. Michan et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Lithium ion solvation by ethylene carbonates in lithium-ion battery electrolytes, revisited by density functional theory with the hybrid solvation model and free energy correction in solution

(2016) Wei Cui et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Theoretical Limits of Energy Density in Silicon-Carbon Composite Anode Based Lithium Ion Batteries

(2016) Ranjan Dash et al.   Scientific Reports

Advanced electrolyte/additive for lithium-ion batteries with silicon anode

(2016) Shuo Zhang et al.   Current Opinion in Chemical Engineering

Modeling solid-electrolyte interfacial phenomena in silicon anodes

(2016) FA Soto et al.   Current Opinion in Chemical Engineering

Computational Studies of Interfacial Reactions at Anode Materials: Initial Stages of the Solid-Electrolyte-Interphase Layer Formation

(2016) G. Ramos-Sanchez et al.   Journal of Electrochemical Energy Conversion and Storage

Formation and Growth Mechanisms of Solid-Electrolyte Interphase Layers in Rechargeable Batteries

(2015) Fernando A. Soto et al.   CHEMISTRY OF MATERIALS

First-Principles Calculations of Lithiation of a Hydroxylated Surface of Amorphous Silicon Dioxide

(2015) Saul Perez-Beltran et al.   Journal of Physical Chemistry C

Effect of the Electrolyte Composition on SEI Reactions at Si Anodes of Li-Ion Batteries

(2015) Julibeth M. Martinez de la Hoz et al.   Journal of Physical Chemistry C

Kinetics and fracture resistance of lithiated silicon nanostructure pairs controlled by their mechanical interaction

(2015) Seok Woo Lee et al.   Nature Communications

Li-Rich Li-Si Alloy As A Lithium-Containing Negative Electrode Material Towards High Energy Lithium-Ion Batteries

(2015) Shinichiroh Iwamura et al.   Scientific Reports

Breathing silicon anodes for durable high-power operations

(2015) Chihyun Hwang et al.   Scientific Reports

Yolk-shell silicon-mesoporous carbon anode with compact solid electrolyte interphase film for superior lithium-ion batteries

(2015) Jianping Yang et al.   Nano Energy

Challenges in Accommodating Volume Change of Si Anodes for Li-Ion Batteries

(2015) Minseong Ko et al.   ChemElectroChem

Electrolytes and Interphases in Li-Ion Batteries and Beyond

(2014) Kang Xu   CHEMICAL REVIEWS

Review on recent progress of nanostructured anode materials for Li-ion batteries

(2014) Subrahmanyam Goriparti et al.   JOURNAL OF POWER SOURCES

DFT Study of Reduction Mechanisms of Ethylene Carbonate and Fluoroethylene Carbonate on Li+-Adsorbed Si Clusters

(2014) Yuguang Ma et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

Reduction mechanisms of additives on Si anodes of Li-ion batteries

(2014) Julibeth M. Martínez de la Hoz et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Si-Based Anode Materials for Li-Ion Batteries: A Mini Review

(2014) Delong Ma et al.   Nano-Micro Letters

Reduction Mechanisms of Ethylene Carbonate on Si Anodes of Lithium-Ion Batteries: Effects of Degree of Lithiation and Nature of Exposed Surface

(2013) Julibeth M. Martinez de la Hoz et al.   ACS Applied Materials & Interfaces

Revision of the Li13Si4structure

(2013) Michael Zeilinger et al.   ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE

Silicon Solid Electrolyte Interphase (SEI) of Lithium Ion Battery Characterized by Microscopy and Spectroscopy

(2013) Mengyun Nie 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

Structure and electronic properties of lithium–silicon clusters

(2013) Sebastián I. González et al.   Computational and Theoretical Chemistry

A Highly Cross-Linked Polymeric Binder for High-Performance Silicon Negative Electrodes in Lithium Ion Batteries

(2012) Bonjae Koo et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Designing nanostructured Si anodes for high energy lithium ion batteries

(2012) Hui Wu et al.   Nano Today

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

Anisotropic Lithium Insertion Behavior in Silicon Nanowires: Binding Energy, Diffusion Barrier, and Strain Effect

(2011) Qianfan Zhang et al.   Journal of Physical Chemistry C

Hybrid DFT Functional-Based Static and Molecular Dynamics Studies of Excess Electron in Liquid Ethylene Carbonate

(2011) Jiamei Yu 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 Insertion In Silicon Nanowires: An abInitio Study

(2010) Qianfan Zhang et al.   NANO LETTERS

Effect of Vinylene Carbonate Additive in Li-Ion Batteries: Comparison of LiCoO[sub 2]∕C, LiFePO[sub 4]∕C, and LiCoO[sub 2]∕Li[sub 4]Ti[sub 5]O[sub 12] Systems

(2009) L. El Ouatani et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

Ab-initiosimulations of materials using VASP: Density-functional theory and beyond

(2008) Jürgen Hafner   JOURNAL OF COMPUTATIONAL CHEMISTRY