Implicit solvation model for density-functional study of nanocrystal surfaces and reaction pathways
Published 2014 View Full Article
- Home
- Publications
- Publication Search
- Publication Details
Title
Implicit solvation model for density-functional study of nanocrystal surfaces and reaction pathways
Authors
Keywords
-
Journal
JOURNAL OF CHEMICAL PHYSICS
Volume 140, Issue 8, Pages 084106
Publisher
AIP Publishing
Online
2014-02-27
DOI
10.1063/1.4865107
References
Ask authors/readers for more resources
Related references
Note: Only part of the references are listed.- Efficient classical density-functional theories of rigid-molecular fluids and a simplified free energy functional for liquid water
- (2013) Ravishankar Sundararaman et al. COMPUTER PHYSICS COMMUNICATIONS
- Nafion-stabilised platinum nanoparticles supported on titanium nitride: An efficient and durable electrocatalyst for phosphoric acid based polymer electrolyte fuel cells
- (2013) Ravi Kumar et al. ELECTROCHIMICA ACTA
- The importance of nonlinear fluid response in joint density-functional theory studies of battery systems
- (2013) Deniz Gunceler et al. MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING
- Confined-but-Connected Quantum Solids via Controlled Ligand Displacement
- (2013) William J. Baumgardner et al. NANO LETTERS
- Nanoparticle structures served up on a tray
- (2013) Simon Billinge NATURE
- Accuracy of exchange-correlation functionals and effect of solvation on the surface energy of copper
- (2013) Matthew Fishman et al. PHYSICAL REVIEW B
- Predicting Nanocrystal Shape through Consideration of Surface-Ligand Interactions
- (2012) Clive R. Bealing et al. ACS Nano
- Bistable Magnetoresistance Switching in Exchange-Coupled CoFe2O4–Fe3O4 Binary Nanocrystal Superlattices by Self-Assembly and Thermal Annealing
- (2012) Jun Chen et al. ACS Nano
- Revised self-consistent continuum solvation in electronic-structure calculations
- (2012) Oliviero Andreussi et al. JOURNAL OF CHEMICAL PHYSICS
- Morphology and size control of lead sulphide nanoparticles produced using methanolic lead acetate trihydrate–thiourea complex via different precipitation techniques
- (2012) Jayesh D. Patel et al. MATERIALS CHEMISTRY AND PHYSICS
- Binder-Free and Carbon-Free Nanoparticle Batteries: A Method for Nanoparticle Electrodes without Polymeric Binders or Carbon Black
- (2012) Don-Hyung Ha et al. NANO LETTERS
- Framework for solvation in quantum Monte Carlo
- (2012) Kathleen A. Schwarz et al. PHYSICAL REVIEW B
- Joint density functional theory of the electrode-electrolyte interface: Application to fixed electrode potentials, interfacial capacitances, and potentials of zero charge
- (2012) Kendra Letchworth-Weaver et al. PHYSICAL REVIEW B
- Controlling Nanocrystal Superlattice Symmetry and Shape-Anisotropic Interactions through Variable Ligand Surface Coverage
- (2011) Joshua J. Choi et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- The Fabrication of Stable Gold Nanoparticle-Modified Interfaces for Electrochemistry
- (2011) Guozhen Liu et al. LANGMUIR
- Nano Meets Biology: Structure and Function at the Nanoparticle Interface
- (2011) Daniel F. Moyano et al. LANGMUIR
- SnSe Nanocrystals: Synthesis, Structure, Optical Properties, and Surface Chemistry
- (2010) William J. Baumgardner et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Synthesis of Monodisperse PbSe Nanorods: A Case for Oriented Attachment
- (2010) Weon-kyu Koh et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Pt-Decorated PdCo@Pd/C Core−Shell Nanoparticles with Enhanced Stability and Electrocatalytic Activity for the Oxygen Reduction Reaction
- (2010) Deli Wang et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Accuracy of quantum Monte Carlo methods for point defects in solids
- (2010) William D. Parker et al. PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS
- Steric Effects and Solvent Effects on SN2 Reactions
- (2009) Yongho Kim et al. JOURNAL OF PHYSICAL CHEMISTRY A
- QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials
- (2009) Paolo Giannozzi et al. JOURNAL OF PHYSICS-CONDENSED MATTER
- A Universal Approach to Solvation Modeling
- (2008) Christopher J. Cramer et al. ACCOUNTS OF CHEMICAL RESEARCH
- Nonlinear Optical Properties of PbS Nanocrystals Grown in Polymer Solutions
- (2008) Daniel J. Asunskis et al. Journal of Physical Chemistry C
Publish scientific posters with Peeref
Peeref publishes scientific posters from all research disciplines. Our Diamond Open Access policy means free access to content and no publication fees for authors.
Learn MoreAdd your recorded webinar
Do you already have a recorded webinar? Grow your audience and get more views by easily listing your recording on Peeref.
Upload Now