Predicting kinetic nanocrystal shapes through multi-scale theory and simulation: Polyvinylpyrrolidone-mediated growth of Ag nanocrystals

Formation Mechanism of Fe Nanocubes by Magnetron Sputtering Inert Gas Condensation

(2016) Junlei Zhao et al.   ACS Nano

Multi-scale theory and simulation of shape-selective nanocrystal growth

(2016) Kristen A. Fichthorn et al.   CRYSTENGCOMM

Polyvinylpyrrolidone (PVP) in nanoparticle synthesis

(2015) Kallum M. Koczkur et al.   DALTON TRANSACTIONS

Synthesis of {111}-Faceted Au Nanocrystals Mediated by Polyvinylpyrrolidone: Insights from Density-Functional Theory and Molecular Dynamics

(2015) Shih-Hsien Liu et al.   Journal of Physical Chemistry C

Shape-Controlled Synthesis of Colloidal Metal Nanocrystals: Thermodynamic versus Kinetic Products

(2015) Younan Xia et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

How Structure-Directing Agents Control Nanocrystal Shape: Polyvinylpyrrolidone-Mediated Growth of Ag Nanocubes

(2015) Xin Qi et al.   NANO LETTERS

Atomic-Scale Theory and Simulations for Colloidal Metal Nanocrystal Growth

(2014) Kristen A. Fichthorn   JOURNAL OF CHEMICAL AND ENGINEERING DATA

Recovering position-dependent diffusion from biased molecular dynamics simulations

(2014) Ajasja Ljubetič et al.   JOURNAL OF CHEMICAL PHYSICS

A Force Field for Describing the Polyvinylpyrrolidone-Mediated Solution-Phase Synthesis of Shape-Selective Ag Nanoparticles

(2014) Ya Zhou et al.   Journal of Physical Chemistry C

Shape-directional growth of Pt and Pd nanoparticles

(2014) G. Jeremy Leong et al.   Nanoscale

First passage times in homogeneous nucleation and self-assembly

(2013) Romain Yvinec et al.   JOURNAL OF CHEMICAL PHYSICS

Comparison of the Binding of Polyvinylpyrrolidone and Polyethylene Oxide to Ag Surfaces: Elements of a Successful Structure-Directing Agent

(2013) Ya Zhou et al.   Journal of Physical Chemistry C

Using collective variables to drive molecular dynamics simulations

(2013) Giacomo Fiorin et al.   MOLECULAR PHYSICS

Molecular phenomena in colloidal nanostructure synthesis

(2013) Kristen A. Fichthorn   MOLECULAR SIMULATION

Size and Shape Control of Metal Nanoparticles for Reaction Selectivity in Catalysis

(2012) Kwangjin An et al.   ChemCatChem

Synthesis of polyhedral Ag nanostructures by a PVP-assisted hydrothermal method

(2012) Xiaolong Ding et al.   JOURNAL OF NANOPARTICLE RESEARCH

Structure Sensitivity in Pt Nanoparticle Catalysts for Hydrogenation of 1,3-Butadiene: In Situ Study of Reaction Intermediates Using SFG Vibrational Spectroscopy

(2012) William D. Michalak et al.   Journal of Physical Chemistry C

Binding of Polyvinylpyrrolidone to Ag Surfaces: Insight into a Structure-Directing Agent from Dispersion-Corrected Density Functional Theory

(2012) Wissam A. Saidi et al.   Journal of Physical Chemistry C

Towards stable catalysts by controlling collective properties of supported metal nanoparticles

(2012) Gonzalo Prieto et al.   NATURE MATERIALS

First-passage-probability analysis of active transport in live cells

(2012) David A. Kenwright et al.   PHYSICAL REVIEW E

Controlling the Synthesis and Assembly of Silver Nanostructures for Plasmonic Applications

(2011) Matthew Rycenga et al.   CHEMICAL REVIEWS

Localized Surface Plasmon Resonance Sensors

(2011) Kathryn M. Mayer et al.   CHEMICAL REVIEWS

Quantitative Analysis of the Role Played by Poly(vinylpyrrolidone) in Seed-Mediated Growth of Ag Nanocrystals

(2011) Xiaohu Xia et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Adsorption of Polyvinylpyrrolidone on Ag Surfaces: Insight into a Structure-Directing Agent

(2011) W. A. Al-Saidi et al.   NANO LETTERS

Umbrella sampling

(2011) Johannes Kästner   Wiley Interdisciplinary Reviews-Computational Molecular Science

Size and Shape Dependent Second Order Nonlinear Optical Properties of Nanomaterials and Their Application in Biological and Chemical Sensing

(2010) Paresh Chandra Ray   CHEMICAL REVIEWS

Surface Area Limited Model for Predicting Anisotropic Coarsening of Faceted Nanoparticles

(2010) Alireza Seyed-Razavi et al.   CRYSTAL GROWTH & DESIGN

Plasmonics for improved photovoltaic devices

(2010) Harry A. Atwater et al.   NATURE MATERIALS

Tunable light trapping for solar cells using localized surface plasmons

(2009) F. J. Beck et al.   JOURNAL OF APPLIED PHYSICS

CHARMM general force field: A force field for drug-like molecules compatible with the CHARMM all-atom additive biological force fields

(2009) K. Vanommeslaeghe et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

A New Generation of Sensors Based on Extraordinary Optical Transmission

(2008) Reuven Gordon et al.   ACCOUNTS OF CHEMICAL RESEARCH

Shape-Controlled Synthesis of Metal Nanocrystals: Simple Chemistry Meets Complex Physics?

(2008) Younan Xia et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Engineering Selectivity in Heterogeneous Catalysis: Ag Nanowires as Selective Ethylene Epoxidation Catalysts

(2008) Phillip Christopher et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Biosensing with plasmonic nanosensors

(2008) Jeffrey N. Anker et al.   NATURE MATERIALS