Atomistic Determination of Cross-Slip Pathway and Energetics
The mechanism for cross slip of a screw dislocation in Cu is determined by atomistic simulations that only presume the initial and final states of the process. The dissociated d...
Publications
5 shownThermal Diffusion Processes in Metal-Tip-Surface Interactions: Contact Formation and Adatom Mobility
We have carried out computer simulations to identify and characterize various thermally activated atomic scale processes that can play an important role in room temperature expe...
Phonon-limited mobility in<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi>n</mml:mi></mml:math>-type single-layer MoS<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:msub><mml:mrow/><mml:mn>2</mml:mn></mml:msub></mml:math>from first principles
In the present work we calculate the phonon-limited mobility in intrinsic\nn-type single-layer MoS2 as a function of carrier density and temperature for T\n> 100 K. Using a f...
Multidimensional Potential Energy Surface for<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">H</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>Dissociation over Cu(111)
We present ab initio density functional calculations within the generalized gradient approximation for ${\mathrm{H}}_{2}$ dissociating over Cu(111). The minimum barrier for diss...
Role of nonlocal exchange correlation in activated adsorption
The barrier for dissociative adsorption of ${\mathrm{H}}_{2}$ on Al(110) has been calculated within the generalized gradient approximation. A pronounced increase of the barrier ...
Frequent Co-Authors
Researcher Info
- h-index
- 5
- Publications
- 5
- Citations
- 1,939
- Institution
- Technical University of Denmark
External Links
Identifiers
- ORCID
- 0000-0002-1121-2979
Impact Metrics
h-index
5
h-index: Number of publications with at least h citations each.