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

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

(2015) Ulrich Aschauer et al.   JOURNAL OF CHEMICAL PHYSICS

Synthesis of Rhombic Dodecahedral Fe3O4 Nanocrystals with Exposed High-Energy {110} Facets and Their Peroxidase-like Activity and Lithium Storage Properties

(2014) Xun-Liang Cheng et al.   Journal of Physical Chemistry C

Cysteine on TiO2(110): A Theoretical Study by Reactive Dynamics and Photoemission Spectra Simulation

(2014) Cui Li et al.   LANGMUIR

Subsurface cation vacancy stabilization of the magnetite (001) surface

(2014) R. Bliem et al.   SCIENCE

Colossal resistance switching and band gap modulation in a perovskite nickelate by electron doping

(2014) Jian Shi et al.   Nature Communications

DFT+U Study of Molecular and Dissociative Water Adsorptions on the Fe3O4(110) Surface

(2013) Xiaohu Yu et al.   Journal of Physical Chemistry C

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

(2012) Andreas Bürger et al.   JOURNAL OF MOLECULAR MODELING

Fe3O4 surface electronic structures and stability from GGA+U

(2012) Xiaohu Yu et al.   SURFACE SCIENCE

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

(2011) Patrick H.-L. Sit et al.   INORGANIC CHEMISTRY

DFT+U calculations of crystal lattice, electronic structure, and phase stability under pressure of TiO2 polymorphs

(2011) M. E. Arroyo-de Dompablo et al.   JOURNAL OF CHEMICAL PHYSICS

Specific Material Recognition by Small Peptides Mediated by the Interfacial Solvent Structure

(2011) Julian Schneider et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Growth modification of seeded calcite using carboxylic acids: Atomistic simulations

(2010) Ulrich Aschauer et al.   JOURNAL OF COLLOID AND INTERFACE SCIENCE

Coverage-Dependent Adsorption Mode of Water on Fe3O4(001): Insights from First Principles Calculations

(2010) Narasimham Mulakaluri et al.   Journal of Physical Chemistry C

Surface structure of magnetite (111) under hydrated conditions by crystal truncation rod diffraction

(2010) Sarah C. Petitto et al.   SURFACE SCIENCE

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

(2009) Paolo Giannozzi et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Partial Dissociation of Water onFe3O4(001): Adsorbate Induced Charge and Orbital Order

(2009) Narasimham Mulakaluri et al.   PHYSICAL REVIEW LETTERS

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

(2009) Hanna L. Karlsson et al.   TOXICOLOGY LETTERS

Synthesis, properties, and applications of magnetic iron oxide nanoparticles

(2008) Amyn S. Teja et al.   PROGRESS IN CRYSTAL GROWTH AND CHARACTERIZATION OF MATERIALS