Get started
Author

Jan M. Knaup

Defects in SiO 2 as the possible origin of near interface traps in the SiC ∕ SiO 2 system: A systematic theoretical study
2005 · J. M. Knaup, P. Deák, et al. · Physical Review B · 175
The mechanism of defect creation and passivation at the SiC/SiO2interface
2007 · Peter Deák, Jan M Knaup, et al. · Journal of Physics D Applied Physics · 174
Theoretical study of the mechanism of dry oxidation of 4 H -SiC
2005 · Jan M. Knaup, Peter Deák, et al. · Physical Review B · 146
Stiffening of organosilicate glasses by organic cross-linking
2010 · Han Li, Jan M. Knaup, et al. · Acta Materialia · 79
Computational Studies on Polymer Adhesion at the Surface of γ-Al 2 O 3 . I. The Adsorption of Adhesive Component Molecules from the Gas Phase
2006 · Jan M. Knaup, Christof Köhler, et al. · The Journal of Physical Chemistry B · 39
In situparameterisation of SCC-DFTB repulsive potentials by iterative Boltzmann inversion
2013 · Manuel Doemer, Elisa Liberatore, et al. · Molecular Physics · 38
Initial Steps toward Automating the Fitting of DFTB E rep ( r )
2007 · J. M. Knaup, B. Hourahine, et al. · The Journal of Physical Chemistry A · 32
Effects of Molecular Dynamics Thermostats on Descriptions of Chemical Nonequilibrium
2012 · Alister J. Page, Tetsushi Isomoto, et al. · Journal of Chemical Theory and Computation · 24
How the aggregation of oxygen vacancies in rutile-based TiO2−δ phases causes memristive behavior
2015 · Wolfgang Heckel, Michael Wehlau, et al. · Physical Review B · 20
PDF
Defects of the SiC/SiO2 interface: energetics of the elementary steps of the oxidation reaction
2003 · P. Deák, A. Gali, et al. · Physica B Condensed Matter · 20
Computational Investigation of the Adsorption of Polyalkylene Glycols on Copper Surfaces for Copper Electrodeposition
2019 · Ralf Schmidt, Jan Michael Knaup, et al. · Advanced Theory and Simulations · 19
Reduction of the TiO2–x melting temperature induced by oxygen deficiency with implications on experimental data accuracy and structural transition processes
2014 · J. M. Knaup, J. Marx, et al. · physica status solidi (RRL) - Rapid Research Letters · 18
Hydrogen adsorption and etching on the Si-rich 3 C -SiC(001) 3×2 surface: First-principles molecular dynamics calculations
2009 · Peter Deák, Bálint Aradi, et al. · Physical Review B · 15
The mechanism of defect creation and passivation at the SiC/SiO2 interface
2008 · Peter Deák, Jan Knaup, et al. · Journal of Physics D Applied Physics · 14
PDF
Influence of CH 2 content and network defects on the elastic properties of organosilicate glasses
2011 · Jan M. Knaup, Han Li, et al. · Physical Review B · 11
PDF
Benign Arylations of Dimethyl Itaconate via Heck–Matsuda Reaction Utilizing in‐Situ Generated Palladium on Aluminum Oxide
2019 · Lauryna Matelienė (née Dauksaîtė), Jan Knaup, et al. · European Journal of Organic Chemistry · 9
The dielectric response of low-k interlayer dielectric material characterized by electron energy loss spectroscopy
2013 · Pradeep K. Singh, Jan M. Knaup, et al. · Microporous and Mesoporous Materials · 7
The Search for Near Interface Oxide Traps - First-Principles Calculations on Intrinsic SiO2 Defects
2005 · J.M. Knaup, Peter Deák, et al. · Materials science forum · 7
Identification of defects at the interface between 3C‐SiC quantum dots and a SiO2 embedding matrix
2011 · Márton Vörös, Adam Gali, et al. · physica status solidi (b) · 6
The Adsorption Structure of Polyethylene Imine on Copper Surfaces for Electrodeposition
2021 · Ralf Schmidt, Christopher D. Bandas, et al. · physica status solidi (RRL) - Rapid Research Letters · 5
Preface: Focus on Functional Oxides
2014 · Jan M. Knaup, Thomas Frauenheim, et al. · physica status solidi (RRL) - Rapid Research Letters · 5
PDF
Quantum mechanical and molecular mechanical simulation approaches bridging length and time scales for simulation of interface reactions in realistic environments
2009 · J. M. Knaup, P. Tölle, et al. · The European Physical Journal Special Topics · 5
The Mechanism of Interface State Passivation by NO
2007 · Peter Deák, T. Hornos, et al. · Materials science forum · 5
A Robust Palladium-Free Activation Process for Electroless Copper Plating
2019 · Andre Beyer, Josef Gaida, et al. · International Microsystems, Packaging, Assembly and Circuits Technology Conference · 4
Permutation-invariant collective variable to track and drive vacancy dynamics in simulations of solids
2013 · Jan M. Knaup, Michael Wehlau, et al. · Physical Review B · 4
PDF
Works count: 44
Citation count: 900
H-index: 14
I10-index: 15
Year
Topic
Type