Reactive molecular dynamics simulations on SiO2-coated ultra-small Si-nanowires

Present Status and Future Prospects of Silicon Thin-Film Solar Cells

(2013) Makoto Konagai   JAPANESE JOURNAL OF APPLIED PHYSICS

Self-Limiting Oxidation in Small-Diameter Si Nanowires

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

Hyperthermal Oxidation of Si(100)2×1 Surfaces: Effect of Growth Temperature

(2012) U. Khalilov et al.   Journal of Physical Chemistry C

Exploration of the Conformational and Reactive Dynamics of Glycine and Diglycine on TiO2: Computational Investigations in the Gas Phase and in Solution

(2012) Susanna Monti et al.   Journal of Physical Chemistry C

Stress evolution during the oxidation of silicon nanowires in the sub-10 nm diameter regime

(2011) Byung-Hyun Kim et al.   APPLIED PHYSICS LETTERS

Modeling stress retarded self-limiting oxidation of suspended silicon nanowires for the development of silicon nanowire-based nanodevices

(2011) Pier-Francesco Fazzini et al.   JOURNAL OF APPLIED PHYSICS

Reactive Molecular Dynamics Study on the First Steps of DNA Damage by Free Hydroxyl Radicals

(2011) Ramin M. Abolfath et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Can We Control the Thickness of Ultrathin Silica Layers by Hyperthermal Silicon Oxidation at Room Temperature?

(2011) U. Khalilov et al.   Journal of Physical Chemistry C

Insights in the Plasma-Assisted Growth of Carbon Nanotubes through Atomic Scale Simulations: Effect of Electric Field

(2011) Erik C. Neyts et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Changing Chirality during Single-Walled Carbon Nanotube Growth: A Reactive Molecular Dynamics/Monte Carlo Study

(2011) Erik C. Neyts et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Hierarchical Silica Nanostructures Inspired by Diatom Algae Yield Superior Deformability, Toughness, and Strength

(2011) Andre P. Garcia et al.   METALLURGICAL AND MATERIALS TRANSACTIONS A-PHYSICAL METALLURGY AND MATERIALS SCIENCE

Quantum Confinement Induced Performance Enhancement in Sub-5-nm Lithographic Si Nanowire Transistors

(2011) Krutarth Trivedi et al.   NANO LETTERS

Catalyzed Growth of Carbon Nanotube with Definable Chirality by Hybrid Molecular Dynamics−Force Biased Monte Carlo Simulations

(2010) Erik C. Neyts et al.   ACS Nano

Molecular dynamics simulation of O2 sticking on Pt(111) using the ab initio based ReaxFF reactive force field

(2010) Paolo Valentini et al.   JOURNAL OF CHEMICAL PHYSICS

A reactive molecular dynamics simulation of the silica-water interface

(2010) Joseph C. Fogarty et al.   JOURNAL OF CHEMICAL PHYSICS

Development of a ReaxFF Reactive Force Field for Glycine and Application to Solvent Effect and Tautomerization

(2010) Obaidur Rahaman et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Application of the ReaxFF Reactive Force Field to Reactive Dynamics of Hydrocarbon Chemisorption and Decomposition

(2010) Jonathan E. Mueller et al.   Journal of Physical Chemistry C

Atomistic modeling of strain and diffusion at theSi/SiO2interface

(2010) Patrick Ganster et al.   PHYSICAL REVIEW B

Rapid thermal oxidation of silicon nanowires

(2009) Sergiy Krylyuk et al.   APPLIED PHYSICS LETTERS

Strain relaxation in Si/Ge/Si nanoscale bars from molecular dynamics simulations

(2009) Yumi Park et al.   JOURNAL OF APPLIED PHYSICS

Spontaneous Self-Assembly of Silica Nanocages into Inorganic Framework Materials

(2009) N. Ning et al.   Journal of Physical Chemistry C

ReaxFF Reactive Force Field for Molecular Dynamics Simulations of Hydrocarbon Oxidation

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

Oxidation of silicon nanowires for top-gated field effect transistors

(2008) Bangzhi Liu et al.   JOURNAL OF VACUUM SCIENCE & TECHNOLOGY A