skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Stable Pt clusters anchored to monovacancies on graphene sheets



ORCiD logo; ;
Publication Date:
Research Org.:
Pacific Northwest National Lab. (PNNL), Richland, WA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
Report Number(s):
Journal ID: ISSN 2159-6859; applab; KC0203020
DOE Contract Number:  
Resource Type:
Journal Article
Journal Name:
MRS Communications
Additional Journal Information:
Journal Volume: 7; Journal Issue: 04; Journal ID: ISSN 2159-6859
Materials Research Society - Cambridge University Press
Country of Publication:
United States

Citation Formats

Medasani, Bharat K., Liu, Jun, and Sushko, Maria L. Stable Pt clusters anchored to monovacancies on graphene sheets. United States: N. p., 2017. Web. doi:10.1557/mrc.2017.112.
Medasani, Bharat K., Liu, Jun, & Sushko, Maria L. Stable Pt clusters anchored to monovacancies on graphene sheets. United States. doi:10.1557/mrc.2017.112.
Medasani, Bharat K., Liu, Jun, and Sushko, Maria L. Mon . "Stable Pt clusters anchored to monovacancies on graphene sheets". United States. doi:10.1557/mrc.2017.112.
title = {Stable Pt clusters anchored to monovacancies on graphene sheets},
author = {Medasani, Bharat K. and Liu, Jun and Sushko, Maria L.},
abstractNote = {Abstract},
doi = {10.1557/mrc.2017.112},
journal = {MRS Communications},
issn = {2159-6859},
number = 04,
volume = 7,
place = {United States},
year = {2017},
month = {10}

Works referenced in this record:

Electronic and transport properties of structural defects in monolayer germanene: An ab initio investigation
journal, January 2016

Quantum Mechanical Studies of Large Metal, Metal Oxide, and Metal Chalcogenide Nanoparticles and Clusters
journal, April 2015

  • Fernando, Amendra; Weerawardene, K. L. Dimuthu M.; Karimova, Natalia V.
  • Chemical Reviews, Vol. 115, Issue 12
  • DOI: 10.1021/cr500506r

Global Optimization by Basin-Hopping and the Lowest Energy Structures of Lennard-Jones Clusters Containing up to 110 Atoms
journal, July 1997

  • Wales, David J.; Doye, Jonathan P. K.
  • The Journal of Physical Chemistry A, Vol. 101, Issue 28
  • DOI: 10.1021/jp970984n

Graphene-based gas sensor: metal decoration effect and application to a flexible device
journal, January 2014

  • Cho, Byungjin; Yoon, Jongwon; Hahm, Myung Gwan
  • J. Mater. Chem. C, Vol. 2, Issue 27
  • DOI: 10.1039/C4TC00510D

Theoretical study of the surface energy, stress, and lattice contraction of silver nanoparticles
journal, June 2007

Functionalization of Graphene: Covalent and Non-Covalent Approaches, Derivatives and Applications
journal, September 2012

  • Georgakilas, Vasilios; Otyepka, Michal; Bourlinos, Athanasios B.
  • Chemical Reviews, Vol. 112, Issue 11
  • DOI: 10.1021/cr3000412

Density functional theory investigation of 3 d , 4 d , and 5 d 13-atom metal clusters
journal, April 2010

  • Piotrowski, Maurício J.; Piquini, Paulo; Da Silva, Juarez L. F.
  • Physical Review B, Vol. 81, Issue 15
  • DOI: 10.1103/PhysRevB.81.155446

Understanding Interfaces in Metal–Graphitic Hybrid Nanostructures
journal, December 2012

  • Ding, Mengning; Tang, Yifan; Star, Alexander
  • The Journal of Physical Chemistry Letters, Vol. 4, Issue 1
  • DOI: 10.1021/jz301711a

A first-principles investigation of the optical spectra of oxidized graphene
journal, January 2013

  • Singh, N.; Kaloni, T. P.; Schwingenschlögl, U.
  • Applied Physics Letters, Vol. 102, Issue 2
  • DOI: 10.1063/1.4781382

Prediction of a quantum anomalous Hall state in Co-decorated silicene
journal, January 2014

Combined Effects of Functional Groups, Lattice Defects, and Edges in the Infrared Spectra of Graphene Oxide
journal, August 2015

  • Zhang, Cui; Dabbs, Daniel M.; Liu, Li-Min
  • The Journal of Physical Chemistry C, Vol. 119, Issue 32
  • DOI: 10.1021/acs.jpcc.5b02727

Stability and Dynamics of the Tetravacancy in Graphene
journal, February 2014

  • Robertson, Alex W.; Lee, Gun-Do; He, Kuang
  • Nano Letters, Vol. 14, Issue 3
  • DOI: 10.1021/nl500119p

Ab initiomolecular dynamics for liquid metals
journal, January 1993

A climbing image nudged elastic band method for finding saddle points and minimum energy paths
journal, December 2000

  • Henkelman, Graeme; Uberuaga, Blas P.; Jónsson, Hannes
  • The Journal of Chemical Physics, Vol. 113, Issue 22, p. 9901-9904
  • DOI: 10.1063/1.1329672

Intertwined lattice deformation and magnetism in monovacancy graphene
journal, April 2016

Welding of Gold Nanoparticles on Graphitic Templates for Chemical Sensing
journal, February 2012

  • Ding, Mengning; Sorescu, Dan C.; Kotchey, Gregg P.
  • Journal of the American Chemical Society, Vol. 134, Issue 7
  • DOI: 10.1021/ja210278u

Curvature drastically changes diffusion properties of Li and Na on graphene
journal, July 2013

An object-oriented scripting interface to a legacy electronic structure code
journal, January 2002

  • Bahn, S. R.; Jacobsen, K. W.
  • Computing in Science & Engineering, Vol. 4, Issue 3
  • DOI: 10.1109/5992.998641

VESTA 3 for three-dimensional visualization of crystal, volumetric and morphology data
journal, October 2011

Binding of Pt Nanoclusters to Point Defects in Graphene: Adsorption, Morphology, and Electronic Structure
journal, March 2012

  • Fampiou, Ioanna; Ramasubramaniam, Ashwin
  • The Journal of Physical Chemistry C, Vol. 116, Issue 11
  • DOI: 10.1021/jp2110117

cp2k: atomistic simulations of condensed matter systems
journal, June 2013

  • Hutter, Jürg; Iannuzzi, Marcella; Schiffmann, Florian
  • Wiley Interdisciplinary Reviews: Computational Molecular Science, Vol. 4, Issue 1
  • DOI: 10.1002/wcms.1159

Computational study of the surface properties of aluminum nanoparticles
journal, July 2009