List of works - Udo Becker

An ab-initio study of the energetics and geometry of sulfide, sulfite, and sulfate incorporation into apatite: The thermodynamic basis for using this system as an oxybarometer

scholarly article in American Mineralogist, vol. 102 no. 8, August 2017

Average structure and local configuration of excess oxygen in UO(2+x).

scientific article published on 19 March 2014

C60--Tetraphenylphosphonium+: an Organic Alloy

article

Chemical and structural characterization of As immobilization by nanoparticles of mackinawite (FeSm)

scientific article published in October 2009

Corrigendum to “He diffusion and closure temperatures in apatite and zircon: A density functional theory investigation” [Geochim. Cosmochim. Acta 86 (2012) 228–238]

scientific article published in December 2012

Dissolution enables dolomite crystal growth near ambient conditions

scientific article published on 23 November 2023

Electrochemical and Spectroscopic Evidence on the One-Electron Reduction of U(VI) to U(V) on Magnetite.

scientific article published on 30 April 2015

Electronic structure and energetics of tetragonal SrCuO₂ and its high-pressure superstructure phase

scientific article published on 01 November 2011

Electronic structure and thermodynamic stability of uranium-doped yttrium iron garnet

scientific article published in November 2013

First-principles calculations of the thermodynamic mixing properties of arsenic incorporation into pyrite and marcasite

scholarly article

He diffusion and closure temperatures in apatite and zircon: A density functional theory investigation

scientific article

Identification of peptides with targeted adhesion to bone-like mineral via phage display and computational modeling

scientific article

Low-temperature anisotropic diffusion of helium in zircon: Implications for zircon (U–Th)/He thermochronometry

scholarly article

Mechanistic Study of Wettability Changes on Calcite by Molecules Containing a Polar Hydroxyl Functional Group and Nonpolar Benzene Rings

scientific article published on 11 February 2019

Multiple H2 occupancy of cages of clathrate hydrate under mild conditions

scientific article published on 24 May 2012

Nanomanipulation and environmental nanotechnology.

scientific article published on 11 November 2014

Nanoscale manipulation of the properties of solids at high pressure with relativistic heavy ions

scientific article published on 06 September 2009

Oxidation and metal-insertion in molybdenite surfaces: evaluation of charge-transfer mechanisms and dynamics.

scientific article published on 5 June 2008

Phase stability and pressure dependence of defect formation in Gd2Ti2O7 and Gd2Zr2O7 pyrochlores

scientific article published on 28 January 2008

Pressure-induced splitting and buckling of Cu-O chains in the low-dimensional structure of SrCuO2

scientific article published on 23 October 2007

Quantum mechanical vs. empirical potential modeling of uranium dioxide (UO2) surfaces: (111), (110), and (100)

scholarly article by F. N. Skomurski et al published 1 November 2006 in American Mineralogist

Structural stability and phase transitions in WO3 thin films.

scientific article

The basis for reevaluating the reactivity of pyrite surfaces: spin states and crystal field d-orbital splitting energies of bulk, terrace, edge, and corner Fe(ii) ions

scientific article published on 01 March 2019

The thermodynamics of calcite nucleation at organic interfaces: Classical vs. non-classical pathways

Thermal behavior of metal nanoparticles in geologic materials

scholarly article

Thermodynamics of mixing and ordering in pyrope — grossular solid solution

Three new silver uranyl diphosphonates: structures and properties

scientific article published on 13 February 2014

Tuning electronic properties of functionalized polyhedral oligomeric silsesquioxanes: a DFT and TDDFT study.

scientific article published in September 2009

List of works by Udo Becker

An ab-initio study of the energetics and geometry of sulfide, sulfite, and sulfate incorporation into apatite: The thermodynamic basis for using this system as an oxybarometer

Average structure and local configuration of excess oxygen in UO(2+x).

C60--Tetraphenylphosphonium+: an Organic Alloy

Chemical and structural characterization of As immobilization by nanoparticles of mackinawite (FeSm)

Corrigendum to “He diffusion and closure temperatures in apatite and zircon: A density functional theory investigation” [Geochim. Cosmochim. Acta 86 (2012) 228–238]

Dissolution enables dolomite crystal growth near ambient conditions

Electrochemical and Spectroscopic Evidence on the One-Electron Reduction of U(VI) to U(V) on Magnetite.

Electronic structure and energetics of tetragonal SrCuO₂ and its high-pressure superstructure phase

Electronic structure and thermodynamic stability of uranium-doped yttrium iron garnet

First-principles calculations of the thermodynamic mixing properties of arsenic incorporation into pyrite and marcasite

He diffusion and closure temperatures in apatite and zircon: A density functional theory investigation

Identification of peptides with targeted adhesion to bone-like mineral via phage display and computational modeling

Low-temperature anisotropic diffusion of helium in zircon: Implications for zircon (U–Th)/He thermochronometry

Mechanistic Study of Wettability Changes on Calcite by Molecules Containing a Polar Hydroxyl Functional Group and Nonpolar Benzene Rings

Multiple H2 occupancy of cages of clathrate hydrate under mild conditions

Nanomanipulation and environmental nanotechnology.

Nanoscale manipulation of the properties of solids at high pressure with relativistic heavy ions

Oxidation and metal-insertion in molybdenite surfaces: evaluation of charge-transfer mechanisms and dynamics.

Phase stability and pressure dependence of defect formation in Gd2Ti2O7 and Gd2Zr2O7 pyrochlores

Pressure-induced splitting and buckling of Cu-O chains in the low-dimensional structure of SrCuO2

Quantum mechanical vs. empirical potential modeling of uranium dioxide (UO2) surfaces: (111), (110), and (100)

Structural stability and phase transitions in WO3 thin films.

The basis for reevaluating the reactivity of pyrite surfaces: spin states and crystal field d-orbital splitting energies of bulk, terrace, edge, and corner Fe(ii) ions

The thermodynamics of calcite nucleation at organic interfaces: Classical vs. non-classical pathways

Thermal behavior of metal nanoparticles in geologic materials

Thermodynamics of mixing and ordering in pyrope — grossular solid solution

Three new silver uranyl diphosphonates: structures and properties

Tuning electronic properties of functionalized polyhedral oligomeric silsesquioxanes: a DFT and TDDFT study.