Publikationen von Jörg Neugebauer
Alle Typen
Zeitschriftenartikel (65)
1.
Zeitschriftenartikel
139 (41), S. 14360 - 14363 (2017)
Operando Phonon Studies of the Protonation Mechanism in Highly Active Hydrogen Evolution Reaction Pentlandite Catalysts. Journal of the American Chemical Society 2.
Zeitschriftenartikel
127 (49), S. 17241 - 17244 (2005)
Structural transitions in the polyalanine α-Helix under uniaxial strain. Journal of the American Chemical Society 3.
Zeitschriftenartikel
7, S. 126-1 - 126-35 (2005)
Combining GW calculations with exact-exchange density-functional theory: an analysis of valence-band photoemission for compound semiconductors. New Journal of Physics 4.
Zeitschriftenartikel
71, S. 031911-1 - 031911-5 (2005)
Phonon spectra and thermodynamic properties of the infinite polyalanine α helix: A density-functional-theory-based harmonic vibrational analysis. Physical Review E 5.
Zeitschriftenartikel
108 (26), S. 5692 - 5698 (2004)
On the accuracy of DFT for describing hydrogen bonds: Dependence on the bond directionality. The Journal of Physical Chemistry A 6.
Zeitschriftenartikel
561 (2-3), S. 154 - 170 (2004)
Aspects of spin-polarized scanning tunneling microscopy at the atomic scale: experiment, theory, and simulation. Surface Science 7.
Zeitschriftenartikel
68, S. 155429-1 - 155429-9 (2003)
Adatom density kinetic Monte Carlo: A hybrid approach to perform epitaxial growth simulations. Physical Review B 8.
Zeitschriftenartikel
68, S. 035403-1 - 035403-5 (2003)
Al(111)-(√3 x √3)R30: On-top versus substitutional adsorption for Rb and K. Physical Review B 9.
Zeitschriftenartikel
423 (6940), S. 626 - 628 (2003)
Universal alignment of hydrogen levels in semiconductors, insulators, and solutions. Nature 10.
Zeitschriftenartikel
67, S. 165419-1 - 165419-9 (2003)
Gallium adsorption on (0001) GaN surfaces. Physical Review B 11.
Zeitschriftenartikel
107 (6), S. 1432 - 1437 (2003)
Density functional theory study of the cooperativity of hydrogen bonds in finite and infinite α-helices. The Journal of Physical Chemistry B 12.
Zeitschriftenartikel
82 (11), S. 1793 - 1795 (2003)
Morphology and surface reconstructions of GaN(1100) surfaces. Applied Physics Letters 13.
Zeitschriftenartikel
90 (5), S. 056101-1 - 056101-4 (2003)
Adatom kinetics on and below the surface: The existence of a new diffusion channel. Physical Review Letters 14.
Zeitschriftenartikel
248, S. 8 - 13 (2003)
Structure and energetics of nitride surfaces under MOCVD growth conditions. Journal of Crystal Growth 15.
Zeitschriftenartikel
7, e3 (2002)
Review of structure of bare and adsorbate-covered GaN(0001) surfaces. MRS Internet Journal of Nitride Semiconductor Research 16.
Zeitschriftenartikel
65 (24), 245212 (2002)
Cohesive properties of group-III nitrides: A comparative study of all-electron and pseudopotential calculations using the generalized gradient approximation. Physical Review B 17.
Zeitschriftenartikel
80, S. 2008 - 2010 (2002)
Adsorption and incorporation of silicon at GaN(0001) surfaces. Applied Physics Letters 18.
Zeitschriftenartikel
20, S. 1640 - 1646 (2002)
Role of hydrogen in surface reconstructions and growth of GaN. Journal of Vacuum Science and Technology B 19.
Zeitschriftenartikel
88, S. 066103-1 - 066103-4 (2002)
First-principles surface phase diagram for hydrogen on GaN surfaces. Physical Review Letters 20.
Zeitschriftenartikel
79 (18), S. 2877 - 2879 (2001)
Identification of surface anion antisite defects in (110) surfaces of III-V semiconductors. Applied Physics Letters