List of works by Sibylle Gemming

A Density Functional Study of Interactions at the Metal–Ceramic Interfaces Al/MgAl2O4 and Ag/MgAl2O4

A Two‐Parameter Model for Colloidal Particles with an Extended Magnetic Cap

A combined experimental and theoretical study of 1,4-bis(phenylethynyl)-2,5-bis(ethoxy)benzene adsorption on Au(111)

A correlation study of layer growth rate, thickness uniformity, stoichiometry, and hydrogen impurity level in HfO2 thin films grown by ALD between 100 ° C and 350 ° C

Ab initio analysis of electron energy loss spectra for complex oxides

Ab initiocalculation of near-edge structures in electron-energy-loss spectra for metal-oxide crystals

scholarly article in Physical Review B, vol. 60 no. 20, November 1999

Ab-Initio Study of the Local Bonding at Metal-Ceramic Heterophase Boundaries

Ab-initio calculation of exchange interactions in YMnO3

Adsorption of CN on Ni(110): an experimental and theoretical study

Adsorption of PTCDA on a partially KBr covered Ag(111) substrate

scientific article published on 21 February 2006

Adsorption of nucleotides on the rutile (110) surface

Aging of the (2+1)-dimensional Kardar-Parisi-Zhang model

scientific article published on 31 March 2014

Amorphisation at Heterophase Interfaces

An intermediate neglect of differential overlap technique for actinide compounds

Analysis of the defect clusters in congruent lithium tantalate

Anchoring functional molecules on TiO2 surfaces: A comparison between the carboxylic and the phosphonic acid group

Anisotropy of colloidal components propels field-activated stirrers and movers

Atomic-Scale Structure of Mo6S6Nanowires

scientific article published on 25 October 2008

Autocorrected off-axis holography of two-dimensional materials

Back Cover: High resolution TEM study of WS2 nanotubes (Phys. Status Solidi B 11/2011)

Band gap tuning of carbon nanotubes for sensor and interconnect applications — A quantum simulation study

Binding properties between ferroic oxides and metals

Bistable self-assembly in homogeneous colloidal systems for flexible modular architectures

article published in 2016

Bit-vectorized GPU implementation of a stochastic cellular automaton model for surface growth ⬇️

C28fullerites—structure, electronic properties and intercalates

scientific article published on 15 May 2006

Carbon p electron ferromagnetism in silicon carbide

scientific article

Carbon : nickel nanocomposite templates - predefined stable catalysts for diameter-controlled growth of single-walled carbon nanotubes

scholarly article by Svetlana Melkhanova et al published 21 August 2016 in Nanoscale

Catalysts on the edge

scientific article published on 01 January 2007

Chemical and Electronic Repair Mechanism of Defects in MoS2 Monolayers.

scientific article published on 15 September 2017

Closed‐Loop Defect States in 2D Materials with Honeycomb Lattice Structure: Molybdenum Disulfide

Cluster Tool for In Situ Processing and Comprehensive Characterization of Thin Films at High Temperatures

scientific article published on 13 June 2018

Comparison of atomistic quantum transport and numerical device simulation for carbon nanotube field-effect transistors

article

Compositionally modulated ripples during composite film growth: Three-dimensional pattern formation at the nanoscale

article

Conduction at domain walls in oxide multiferroics.

scientific article

Conformational Analysis of Aqueous BMP-2 Using Atomistic Molecular Dynamics Simulations

article

Controlling excitons in the quantum tunneling regime in a hybrid plasmonic/2D semiconductor interface

Core-hole effect in the ELNES of α-Al2O3: experiment and theory

scientific article published on 01 February 2001

Correlation of structure and conductance in nanowires

Crystallographic superstructure inR2PdSi3compounds (R=heavyrare earth)

scholarly article in Physical Review B, vol. 84 no. 10, September 2011

Current without external bias and diode effect in shuttling transport of nanoshafts

article

Curvature effects of nitrogen on graphitic sheets: Structures and energetics

DFT Investigation of the Heterostructure GaP(001) on Si(001)

DFT modelling of defects in strontium titanate

DNA-wrapped carbon nanotubes

Defect-induced magnetism in SiC: Interplay between ferromagnetism and paramagnetism ⬇️

scholarly article in Physical Review B, vol. 92 no. 17, November 2015

Defect-induced magnetism in graphite through neutron irradiation ⬇️

scholarly article in Physical Review B, vol. 90 no. 21, December 2014

Density Functional Study on the Electronic Structure of Trioxorhenium Organyls

Density functional study of the Σ3 (111) [1bar10] symmetrical tilt grain boundary in SrTiO3

Density-functional investigation of alloyed metallic nanowires

Density-functional investigation of gold-coated metallic nanowires

scholarly article in Physical Review B, vol. 69 no. 24, June 2004

Density-functional investigation of the (113) [−110] twin grain boundary in Co-doped anatase TiO2 and its influence on magnetism in dilute magnetic semiconductors

scholarly article in Physical Review B, vol. 76 no. 4, July 2007

Density-functional modelling of core-hole effects in electron energy-loss near-edge spectra

scientific article published on 01 February 2001

Density-functional study of Mo4S6 on Au(111)

article

Density-functional-based molecular-dynamics simulations of molten salts

scientific article published on 01 October 2005

Deposition of Nanosized Amino Acid Functionalized Bismuth Oxido Clusters on Gold Surfaces

Describing chain-like assembly of ethoxygroup-functionalized organic molecules on Au(111) using high-throughput simulations

Direct Correction of Residual Symmetric Aberrations in Electron Holograms of Weak Phase Objects

Directionality of metal-induced crystallization and layer exchange in amorphous carbon/nickel thin film stacks

Disentangling defect-induced ferromagnetism in SiC ⬇️

scholarly article in Physical Review B, vol. 89 no. 1, January 2014

Dynamical universality classes of simple growth and lattice gas models

ELNES study of chemical solution deposited SrO ( SrTiO 3 ) n Ruddlesden–Popper films: Experiment and simulation

scientific article published on 17 September 2009

EXAFS, XANES, and DFT study of the mixed-valence compoundYMn2O5: Site-selective substitution of Fe for Mn

scholarly article in Physical Review B, vol. 82 no. 1, July 2010

Editorial

Editorial

Effects of the TiO2 buffer thickness on SrTiO3 (111) epitaxial films grown on GaN (0002)

Elastic and piezoresistive properties of nickel carbides from first principles ⬇️

scholarly article by Jeffrey Kelling et al published 26 January 2017 in Physical Review B

Elastic properties and electronic structure of vanadium silicides-a density functional investigation

Electric field mediated switching of mechanical properties of strontium titanate at room temperature

Electromechanical switch based on Mo6S6 nanowires

scientific article

Electron Mobility of Diketopyrrolopyrrole Copolymers Is Robust against Homocoupling Defects

Electron microscopy, spectroscopy, and first-principles calculations of Cs2O

Electron transport through NiSi2-Si contacts and their role in reconfigurable field-effect transistors

scientific article published on 20 May 2019

Electronic and geometric structures of MoxSy and WxSy (x =1, 2, 4; y =1–12) clusters

Electronic structure ofGa84cluster compounds

scholarly article in Physical Review B, vol. 70 no. 23, December 2004

Electronic transport properties through thiophenes on switchable domains

scholarly article in Physical Review B, vol. 81 no. 11, March 2010

Enhancing the magnetic moment of ferrimagnetic NiCo 2 O 4 via ion irradiation driven oxygen vacancies

Environment Controlled Dewetting of Rh–Pd Bilayers: A Route for Core–Shell Nanostructure Synthesis

Epitaxial growth of SrTiO3(0 0 1) films on multilayer buffered GaN (0 0 0 2) by pulsed laser deposition

Evidence for high negative charge densities in AlF3 coatings on oxidized silicon: a promising source for large drift fields

Feasible Device Architectures for Ultrascaled CNTFETs

article by Anibal Pacheco-Sanchez et al published January 2018 in IEEE Nanotechnology Magazine

Field-responsive colloidal assemblies defined by magnetic anisotropy

scientific article published on 01 July 2019

First-principles study of ferroelectric domain walls in multiferroic bismuth ferrite

scholarly article by Axel Lubk et al published 23 September 2009 in Physical Review B

Formation and crystallographic orientation of NiSi 2 –Si interfaces

Formation, structure, and optical properties of copper chromite thin films for high-temperature solar absorbers

Functional thiols as repair and doping agents of defective MoS2 monolayers

scientific article published on 27 April 2018

High Conductivity in Molecularly p-Doped Diketopyrrolopyrrole-Based Polymer: The Impact of a High Dopant Strength and Good Structural Order

scientific article published on 12 May 2016

High resolution TEM study of WS2 nanotubes

scientific article (publication date: 15 September 2011)

Hopping-Based Charge Transfer in Diketopyrrolopyrrole-Based Donor–Acceptor Polymers: A Theoretical Study

Hydrogen Bonds Control Single-Chain Conformation, Crystallinity, and Electron Transport in Isoelectronic Diketopyrrolopyrrole Copolymers

Impurity and vacancy clustering at the Σ3(111)[1−10] grain boundary in strontium titanate

Influence of Electric Fields on the Electron Transport in Donor–Acceptor Polymers

Influence of Nickel Catalyst Morphology on Layer-Exchange-Based Carbon Crystallisation of Ni/a-C Bilayers

scholarly article by Daniel Janke et al published 25 August 2017 in Physica Status Solidi B

Interactions of Ruddlesden-Popper Phases and Migration-Induced Field-Stabilized Polar Phase in Strontium Titanate

Lewis Acidity and Reactivity of Transition Metal Oxo Complexes. A Comparative Density Functional Study of CH3ReO3, CH3TcO3, and Their Base Adducts

Li doped Mo6S6 nanowires: elastic and electronic properties

Light-Induced Switching of Tunable Single-Molecule Junctions

scientific article (publication date: May 2015)

Local scale-invariance of the 2  +  1 dimensional Kardar–Parisi–Zhang model ⬇️

Localization of edge states at triangular defects in periodic Mo S 2 monolayers

Low-temperature modeling for degenerate and frustrated Heisenberg systems with anisotropy

Microscopic Structure and Energetics of the Pd/SrTio3 (001) Interface

Microscopic structure and bonding at the Pd/SrTiO3 (001) Interface an ab-initio local-density-functional study

Microstructural Studies of Fluorine-Implanted Titanium Aluminides for Enhanced Environmental Durability

scholarly article by Rossen A. Yankov et al published 9 September 2013 in Advanced Engineering Materials

Migration-induced field-stabilized polar phase in strontium titanate single crystals at room temperature

scholarly article in Physical Review B, vol. 88 no. 2, July 2013

Modelling ferroic functional elements

article published in 2007

Molecular Doping of a High Mobility Diketopyrrolopyrrole–Dithienylthieno[3,2-b]thiophene Donor–Acceptor Copolymer with F6TCNNQ

article

Molecular Dynamics

article

Molecular Electronics: Light‐Induced Switching of Tunable Single‐Molecule Junctions (Adv. Sci. 5/2015).

scientific article published on 13 May 2015

Molecular dynamics simulations of BMP-2 adsorption on a hydrophobic surface. Molekulardynamische Simulation des BMP-2-Adsorption auf einer hydrophoben Oberfläche

article

MonS2n+x clusters—magic numbers and platelets

Nanoalloying in Mixed AgmAunNanowires

Nanoplatelets made from MoS2 and WS2

Nanosized allotropes of molybdenum disulfide

Nanotube bundles from calcium disilicide:  A density functional theory study

scholarly article in Physical Review B, vol. 68 no. 7, August 2003

Nitrogen interstitial diffusion induced decomposition in AISI 304L austenitic stainless steel

Non-equilibrium dynamics of magnetically anisotropic particles under oscillating fields.

scientific article published on 14 July 2016

Observation of Room‐Temperature Dark Exciton Emission in Nanopatch‐Decorated Monolayer WSe 2 on Metal Substrate

Olefin Epoxidation by Methyltrioxorhenium: A Density Functional Study on Energetics and Mechanisms

scientific article published on 01 September 1998

Olefinepoxidierung mit Methyltrioxorhenium: eine Dichtefunktionalstudie zu Energetik und Mechanismen

On the agostic interaction in lanthanide phenylene complexes: AnINDOstudy of [(Cp 2*M)2C6H4] (M = Sc, Lu) employing an energy-partitioning analysis

One-dimensional (Mo3S3)n clusters: Building blocks of clusters materials and ideal nanowires for molecular electronics

Optics, mechanics, and energetics of two-dimensional MoS2 nanostructures from a theoretical perspective

scientific article published on 09 December 2014

Organogels from Diketopyrrolopyrrole Copolymer Ionene/Polythiophene Blends Exhibit Ground-State Single Electron Transfer in the Solid State

Percolated Si:SiO<sub>2</sub> Nanocomposites: Oven- vs.Millisecond Laser-induced Crystallization of SiO<em><sub>x</sub></em> Thin Films

Percolated Si:SiO₂ Nanocomposites: Oven- vs. Millisecond Laser-Induced Crystallization of SiO Thin Films

scientific article published on 13 July 2018

Phase Segregation and Transformations in Arsenic-Implanted ZnO Thin Films

Phase Transitions in C:Ni Nanocomposite Templates during Diameter-Selective CVD Synthesis of SWCNTs

Polymorphism in ferroic functional elements

Polymorphism in liquid crystals from star-shaped mesogens

Prediction of Alternative Structures of the Molybdenum Site in the Xanthine Oxidase-Related Aldehyde Oxido Reductase

scholarly article by Alexander A. Voityuk et al published April 1997 in Journal of the American Chemical Society

Preface

Probing a crystal's short-range structure and local orbitals by Resonant X-ray Diffraction methods

Probing interlayer excitons in a vertical van der Waals p-n junction using a scanning probe microscopy technique

scientific article published on 09 January 2019

Proximity-Induced Gap Opening by Twisted Plumbene in Epitaxial Graphene

Publisher's Note: X-ray investigation, high-resolution electron holography, and density functional calculations of single-crystallineBaTiO3[Phys. Rev. B74, 134116 (2006)]

scholarly article in Physical Review B, vol. 74 no. 17, November 2006

Quantitative atomic-scale analysis of interface structures: transmission electron microscopy and local density functional theory.

scientific article published in May 2001

Quantum transport and microwave scattering on fractal lattices

Radially resolved electronic structure and charge carrier transport in silicon nanowires

Reduction of surface coverage of finite systems due to geometrical steps

Resistive switching in thermally oxidized titanium films

scholarly article published September 2013

Reversible structural changes by electrostatic fields in strontium titanate at room temperature

Rotational friction of dipolar colloids measured by driven torsional oscillations.

scientific article

SWCNT growth from C:Ni nanocomposites

Self-assembly of Mo 6S 8 clusters on the Au(111) surface

scholarly article in European Physical Journal D, vol. 45 no. 3, May 2007

Semi-flexible star-shaped molecules: conformational analysis of nano-segregated mesogens forming columnar liquid-crystal phases

Simulation of Inorganic Nanotubes

Single‐Molecule Doping: Conductance Changed By Transition Metal Centers in Salen Molecules

SrTiO3(001)∣LaAlO3(001) multilayers: A density-functional investigation

article published in 2006

Star-shaped oligobenzoates: non-conventional mesogens forming columnar helical mesophases.

scientific article

Stoichiometry variation for the atomic layer deposition of SrxTiyOz from Sr(iPr3Cp)2, Ti[N(CH3)2]4 and H2O

Strontium titanate: An all-in-one rechargeable energy storage material

Structural and electronic properties ofMo6S8clusters deposited on a Au(111) surface investigated with density functional theory

scholarly article in Physical Review B, vol. 75 no. 24, June 2007

Structure and Stability of Molybdenum Sulfide Fullerenes

scientific article published on 01 January 2007

Structure and properties of dimer, trimer and tetramer aggregates of methyltrioxorhenium (MTO): an ab initio study

Structure and stability of molybdenum sulfide fullerenes.

scientific article

Structure variations within RSi2 and R2Si3 silicides. Part II. Structure driving factors

scientific article published on 15 May 2020

Structure variations within RSi2 and R2TSi3 silicides. Part I. Structure overview

scientific article published on 12 March 2020

Structure variations within certain rare earth disilicides

Structure, Optical and Mechanical Properties of Direct Current Magnetron Sputtered Carbon: Vanadium Nanocomposite Thin Films

Structure, stability and electronic properties of composite Mo1–xNbxS2 nanotubes

Struktur und Stabilität von Molybdänsulfid-Fullerenen

Success and limits of common final-state approximations

scientific article published on 01 February 2001

Suppressing correlations in massively parallel simulations of lattice models

Surface modeling and chemical solution deposition of SrO(SrTiO3)n Ruddlesden–Popper phases

Surface-near modifications of SrTiO3 local symmetry due to nitrogen implantation investigated by grazing incidence XANES

Switching Ti Valence inSrTiO3by a dc Electric Field

scientific article published in Physical Review Letters

Synthesis of NiCl2 nanotubes and fullerene-like structures by laser ablation: theoretical considerations and comparison with MoS2 nanotubes

article published in 2003

Tetrahedral Amorphous Carbon Coatings for Friction Reduction of the Valve Train in Internal Combustion Engines

The adsorption of CO on : a joint experimental and theoretical study

The role of homophase and heterophase interfaces on transport properties in structured materials

Theoretical Investigation of Interfaces

Theoretical evidence for the Peierls transition in NbO 2

Theoretical investigation of an in situ k-restore process for damaged ultra-low-k materials based on plasma enhanced fragmentation

Theoretical investigation of in situ k-restore processes for damaged ultra-low-k dielectrics

Theoretical investigation of in situ k-restore processes for damaged ultra-low-k materials

Theoretical study on the CH⋯NC hydrogen bond interaction in thiophene-based molecules

Thermally induced formation of metastable nanocomposites in amorphous Cr-Zr-O thin films deposited using reactive ion beam sputtering

TiSi2 nanostructures – enhanced conductivity at nanoscale?

Tilting of carbon encapsulated metallic nanocolumns in carbon-nickel nanocomposite films by ion beam assisted deposition

scholarly article by Matthias Krause et al published 30 July 2012 in Applied Physics Letters

Topological Hall Effect in Single Thick SrRuO 3 Layers Induced by Defect Engineering

Topology and Origin of Effective Spin Meron Pairs in Ferromagnetic Multilayer Elements

scientific article published in Physical Review Letters

Towards Reconfigurable Electronics: Silicidation of Top-Down Fabricated Silicon Nanowires

Transition metal sulfide clusters below the cluster-platelet transition: Theory and experiment

article by Sibylle Gemming et al published May 2010 in Physica Status Solidi B

Transparent conductive tantalum doped tin oxide as selectively solar-transmitting coating for high temperature solar thermal applications

Transport and noise in organic field-effect devices

scholarly article in Physical Review B, vol. 79 no. 8, February 2009

Tribological Aspects of Carbon-Based Nanocoatings – Theory and Simulation

scientific article published in 2011

Tunable magnetic vortex dynamics in ion-implanted permalloy disks

scientific article published on 22 May 2020

Tuning the conductance of a molecular wire by the interplay of donor and acceptor units

scientific article from 2018

Two-scale modeling of adsorption processes at structured surfaces

Universality of (2+1)-dimensional restricted solid-on-solid models ⬇️

scientific article published on 5 August 2016

Validity of the dipole-selection rule for the Al-L2,3 edge of alpha-Al2O3 under channeling conditions.

scientific article

Wear, Plasticity, and Rehybridization in Tetrahedral Amorphous Carbon

article by Tim Kunze et al published 31 October 2013 in Tribology Letters

X-ray investigation, high-resolution electron holography, and density functional calculations of single-crystallineBaTiO3

scholarly article in Physical Review B, vol. 74 no. 13, October 2006

XRD, XAS and DFT study of the multiferroic mixed-valence compound YMn2O5

Zwei-Skalen-Modellierung von Adsorptionsprozessen an strukturierten Oberflächen

Paulina is supported by:

About Paulina

Help