D. Mutter

发表

Calculation of defect concentrations in Cu2ZnSnS4 from stoichiometry

S. Dunham, D. Mutter, 2014, 2014 IEEE 40th Photovoltaic Specialist Conference (PVSC).

Calculation of Defect Concentrations and Phase Stability in Cu $_2$ ZnSnS $_4$ and Cu $_2$ ZnSnSe $_4$ From Stoichiometry

S. Dunham, D. Mutter, 2015 .

Relative Humidity Uncertainty Analysis using Dew/Frost Point Measurements

D. Mutter, Bob Hardy, 1998 .

Electrostatic treatment of charged interfaces in classical atomistic simulations

D. Urban, C. Elsässer, Congliang Tao, 2021, Modelling and Simulation in Materials Science and Engineering.

Design and Validation of the MBW Standard Humidity Generators

D. Mutter, S. Wettstein, 2018, International Journal of Thermophysics.

Electrostatic treatment of charged interfaces in atomistic calculations

D. Urban, C. Elsässer, Congliang Tao, 2021 .

Ab Initio Study of Carbon Impurities in Cu $_2$ ZnSnS $_4$

S. Dunham, D. Mutter, 2016 .

Defects and Phase Formation in Non-Stoichiometric LaFeO3: a Combined Theoretical and Experimental Study

R. Eichel, R. Schierholz, D. Urban, 2021, Chemistry of Materials.

Computer Simulations of Complex Many-Body Systems

Peter Nielaba, P. Henseler, Kerstin Franzrahe, 2008, High Performance Computing in Science and Engineering.

Computer Simulations of Soft Matter- and Nano-Systems

P. Nielaba, P. Henseler, C. Schieback, 2008 .

Atomistic calculations of charged point defects at grain boundaries in SrTiO3

D. Urban, C. Elsässer, Congliang Tao, 2021, Physical Review B.

Atomistic analysis of Li migration in Li1+AlTi2−(PO4)3 (LATP) solid electrolytes

D. Urban, D. Mutter, D. Pfalzgraf, 2020, 2009.00954.

Determination of Formation Energies and Phase Diagrams of Transition Metal Oxides with DFT+U

D. Urban, C. Elsässer, D. Mutter, 2020, Materials.

Simulation of the thermally induced austenitic phase transition in NiTi nanoparticles

P. Nielaba, D. Mutter, 2011, 1110.2344.

Formation energies of carbon related defects in Cu2ZnSnS4

S. Dunham, D. Mutter, 2014, 2014 IEEE 40th Photovoltaic Specialist Conference (PVSC).

Simulation of structural phase transitions in NiTi

P. Nielaba, D. Mutter, 2010, 1011.4279.

Defects in Na-, K-, and Cd-Doped CuInSe$_2$ : Canonical Thermodynamics Based on Ab Initio Calculations

S. Dunham, David E. Sommer, D. Mutter, 2017, IEEE Journal of Photovoltaics.

First-principles calculations of Na and K impurities in CuInSe2 and their effect on Cd incorporation

S. Dunham, David E. Sommer, D. Mutter, 2016, 2016 IEEE 43rd Photovoltaic Specialists Conference (PVSC).

First-principles calculations of Na and K impurities in CuInSe2 and their effect on Cd incorporation

S. Dunham, David E. Sommer, D. Mutter, 2017, 2017 IEEE 44th Photovoltaic Specialist Conference (PVSC).

Validation of Primary Water Dew-Point Generator for Methane at Pressures up to 6 MPa

A. Peruzzi, R. Bosma, D. Mutter, 2014 .

Validation of a dew-point generator for pressures up to 6 MPa using nitrogen and air

A. Peruzzi, R. Bosma, D. Mutter, 2012 .

An Investigation of the Relation Between Contact Thermometry and Dew-Point Temperature Realization

R. Benyon, D. Mutter, T. Vicente, 2012 .

Formation energy profiles of oxygen vacancies at grain boundaries in perovskite‐type electroceramics

D. Urban, C. Elsasser, Congliang Tao, 2023, Advanced Engineering Materials.

First-principles analysis of the interplay between electronic structure and volume change in colquiriite compounds during Li intercalation

D. Urban, C. Elsasser, A. Baumann, 2023, 2306.17029.

Computational analysis of composition-structure-property-relationships in NZP-type materials for Li-ion batteries

D. Urban, C. Elsässer, D. Mutter, 2019, Journal of Applied Physics.

Systematic Search for Lithium Ion Conducting Compounds by Screening of Compositions Combined with Atomistic Simulation

D. Urban, C. Elsässer, D. Mutter, 2017 .

First-Principles Calculations of Phase Stability, Electronic Structure, and Defect Properties of Perovskites for SOFC/SOEC Electrodes

D. Urban, C. Elsässer, D. Mutter, 2021 .

Monte Carlo modeling of phase separation in CuInxGa1−xSe2

S. Dunham, David E. Sommer, D. Mutter, 2016, 2016 IEEE 43rd Photovoltaic Specialists Conference (PVSC).