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

Title: Adsorption of biomedical coating molecules, amino acids, and short peptides on magnetite (110)

Authors:
 [1];  [2]
  1. Department of Chemistry, Princeton University, Princeton, New Jersey 08544, USA, Materials Theory, ETH Zürich, Zürich, Switzerland
  2. Department of Chemistry, Princeton University, Princeton, New Jersey 08544, USA
Publication Date:
Sponsoring Org.:
USDOE
OSTI Identifier:
1228711
Grant/Contract Number:  
FG02-12ER16286
Resource Type:
Publisher's Accepted Manuscript
Journal Name:
The Journal of Chemical Physics
Additional Journal Information:
Journal Name: The Journal of Chemical Physics Journal Volume: 143 Journal Issue: 4; Journal ID: ISSN 0021-9606
Publisher:
American Institute of Physics
Country of Publication:
United States
Language:
English

Citation Formats

Aschauer, Ulrich, and Selloni, Annabella. Adsorption of biomedical coating molecules, amino acids, and short peptides on magnetite (110). United States: N. p., 2015. Web. doi:10.1063/1.4927327.
Aschauer, Ulrich, & Selloni, Annabella. Adsorption of biomedical coating molecules, amino acids, and short peptides on magnetite (110). United States. doi:10.1063/1.4927327.
Aschauer, Ulrich, and Selloni, Annabella. Tue . "Adsorption of biomedical coating molecules, amino acids, and short peptides on magnetite (110)". United States. doi:10.1063/1.4927327.
@article{osti_1228711,
title = {Adsorption of biomedical coating molecules, amino acids, and short peptides on magnetite (110)},
author = {Aschauer, Ulrich and Selloni, Annabella},
abstractNote = {},
doi = {10.1063/1.4927327},
journal = {The Journal of Chemical Physics},
number = 4,
volume = 143,
place = {United States},
year = {2015},
month = {7}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record
DOI: 10.1063/1.4927327

Citation Metrics:
Cited by: 11 works
Citation information provided by
Web of Science

Save / Share:

Works referenced in this record:

Generalized Gradient Approximation Made Simple
journal, October 1996

  • Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias
  • Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868
  • DOI: 10.1103/PhysRevLett.77.3865

The interaction of water with solid surfaces: Fundamental aspects
journal, October 1987


The Verwey transition - a topical review
journal, March 2002


Synthesis of Rhombic Dodecahedral Fe 3 O 4 Nanocrystals with Exposed High-Energy {110} Facets and Their Peroxidase-like Activity and Lithium Storage Properties
journal, June 2014

  • Cheng, Xun-Liang; Jiang, Ji-Sen; Jiang, Dong-Mei
  • The Journal of Physical Chemistry C, Vol. 118, Issue 24
  • DOI: 10.1021/jp412661e

Synthesis, properties, and applications of magnetic iron oxide nanoparticles
journal, March 2009


Specific Material Recognition by Small Peptides Mediated by the Interfacial Solvent Structure
journal, January 2012

  • Schneider, Julian; Colombi Ciacchi, Lucio
  • Journal of the American Chemical Society, Vol. 134, Issue 4
  • DOI: 10.1021/ja210744g

One-dimensional structural and electronic properties of magnetite Fe3O4(110)
journal, December 2006


DFT+U Study of Molecular and Dissociative Water Adsorptions on the Fe 3 O 4 (110) Surface
journal, April 2013

  • Yu, Xiaohu; Li, Yanni; Li, Yong-Wang
  • The Journal of Physical Chemistry C, Vol. 117, Issue 15
  • DOI: 10.1021/jp400349c

Fe3O4 surface electronic structures and stability from GGA+U
journal, May 2012


DFT+ U calculations of crystal lattice, electronic structure, and phase stability under pressure of TiO 2 polymorphs
journal, August 2011

  • Arroyo-de Dompablo, M. E.; Morales-García, A.; Taravillo, M.
  • The Journal of Chemical Physics, Vol. 135, Issue 5
  • DOI: 10.1063/1.3617244

Long Range Charge Ordering in Magnetite Below the Verwey Transition
journal, December 2001


Adsorption of amino acids on the magnetite-(111)-surface: a force field study
journal, October 2012

  • Bürger, Andreas; Magdans, Uta; Gies, Hermann
  • Journal of Molecular Modeling, Vol. 19, Issue 2
  • DOI: 10.1007/s00894-012-1606-x

The effect of humic acid adsorption on pH-dependent surface charging and aggregation of magnetite nanoparticles
journal, March 2006


QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials
journal, September 2009

  • Giannozzi, Paolo; Baroni, Stefano; Bonini, Nicola
  • Journal of Physics: Condensed Matter, Vol. 21, Issue 39, Article No. 395502
  • DOI: 10.1088/0953-8984/21/39/395502

Structure, stability and magnetic properties of the Fe3O4(110) surface: Density functional theory study
journal, February 2007


Surface structures of Fe3O4 (111), (110), and (001): A density functional theory study
journal, February 2010


First-principles LDA + U and GGA + U study of cerium oxides: Dependence on the effective U parameter
journal, January 2007


Surface structure of magnetite (111) under hydrated conditions by crystal truncation rod diffraction
journal, July 2010

  • Petitto, Sarah C.; Tanwar, Kunaljeet S.; Ghose, Sanjit K.
  • Surface Science, Vol. 604, Issue 13-14
  • DOI: 10.1016/j.susc.2010.03.014

Polar oxide surfaces
journal, July 2000


Adsorption of biomedical coating molecules, amino acids, and short peptides on magnetite (110)
journal, July 2015

  • Aschauer, Ulrich; Selloni, Annabella
  • The Journal of Chemical Physics, Vol. 143, Issue 4
  • DOI: 10.1063/1.4927327

Partial Dissociation of Water on Fe 3 O 4 ( 001 ) : Adsorbate Induced Charge and Orbital Order
journal, October 2009


Growth modification of seeded calcite using carboxylic acids: Atomistic simulations
journal, June 2010

  • Aschauer, Ulrich; Spagnoli, Dino; Bowen, Paul
  • Journal of Colloid and Interface Science, Vol. 346, Issue 1
  • DOI: 10.1016/j.jcis.2010.02.057

Coverage-Dependent Adsorption Mode of Water on Fe 3 O 4 (001): Insights from First Principles Calculations
journal, June 2010

  • Mulakaluri, Narasimham; Pentcheva, Rossitza; Scheffler, Matthias
  • The Journal of Physical Chemistry C, Vol. 114, Issue 25
  • DOI: 10.1021/jp100344n

Semiempirical GGA-type density functional constructed with a long-range dispersion correction
journal, January 2006

  • Grimme, Stefan
  • Journal of Computational Chemistry, Vol. 27, Issue 15, p. 1787-1799
  • DOI: 10.1002/jcc.20495

Soft self-consistent pseudopotentials in a generalized eigenvalue formalism
journal, April 1990


Medical application of functionalized magnetic nanoparticles
journal, July 2005

  • Ito, Akira; Shinkai, Masashige; Honda, Hiroyuki
  • Journal of Bioscience and Bioengineering, Vol. 100, Issue 1
  • DOI: 10.1263/jbb.100.1

Synthesis and surface engineering of iron oxide nanoparticles for biomedical applications
journal, June 2005


Surface Crystal Structure of Magnetite Fe 3 O 4 (110)
journal, August 1998

  • Oda, Yuko; Mizuno, Seigi; Todo, Sakae
  • Japanese Journal of Applied Physics, Vol. 37, Issue Part 1, No. 8
  • DOI: 10.1143/JJAP.37.4518

One-Pot Synthesis of PEGylated Ultrasmall Iron-Oxide Nanoparticles and Their in Vivo Evaluation as Magnetic Resonance Imaging Contrast Agents
journal, November 2006

  • Lutz, Jean-François; Stiller, Sabrina; Hoth, Ann
  • Biomacromolecules, Vol. 7, Issue 11
  • DOI: 10.1021/bm0607527

Subsurface cation vacancy stabilization of the magnetite (001) surface
journal, December 2014


Stability of Nanodispersions: A Model for Kinetics of Aggregation of Nanoparticles
journal, September 2002

  • Kallay, Nikola; Žalac, Suzana
  • Journal of Colloid and Interface Science, Vol. 253, Issue 1
  • DOI: 10.1006/jcis.2002.8476

Size-dependent toxicity of metal oxide particles—A comparison between nano- and micrometer size
journal, July 2009


Colossal resistance switching and band gap modulation in a perovskite nickelate by electron doping
journal, September 2014

  • Shi, Jian; Zhou, You; Ramanathan, Shriram
  • Nature Communications, Vol. 5, Issue 1
  • DOI: 10.1038/ncomms5860

Cysteine on TiO 2 (110): A Theoretical Study by Reactive Dynamics and Photoemission Spectra Simulation
journal, July 2014

  • Li, Cui; Monti, Susanna; Ågren, Hans
  • Langmuir, Vol. 30, Issue 29
  • DOI: 10.1021/la5014973

Jahn-Teller Stabilization of a “Polar” Metal Oxide Surface: Fe 3 O 4 ( 001 )
journal, April 2005


One-dimensional reconstruction observed on Fe3O4(110) by scanning tunneling microscopy
journal, May 1995


Simple, Unambiguous Theoretical Approach to Oxidation State Determination via First-Principles Calculations
journal, October 2011

  • Sit, Patrick H. -L.; Car, Roberto; Cohen, Morrel H.
  • Inorganic Chemistry, Vol. 50, Issue 20
  • DOI: 10.1021/ic2013107

Linear response approach to the calculation of the effective interaction parameters in the LDA + U method
journal, January 2005