J. Häfner

Friedrich-Alexander-Universität Erlangen-Nürnberg — Germany

Physics and Astronomy · Physical Sciences

72h-index99.1kcitations455works1.02yr avg
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Research Topics

Advanced Chemical Physics Studies(122), Thermodynamic and Structural Properties of Metals and Alloys(110), Magnetic properties of thin films(79), Quasicrystal Structures and Properties(64), High-pressure geophysics and materials(59)

Publications455 total

Relativistic reflection within an extended hot plasma geometry
Astronomy and Astrophysics·2025Open Access
Understanding the selectivity of methanol steam reforming on the (1 1 1) surfaces of NiZn, PdZn and PtZn: Insights from DFT
Journal of Catalysis·2015· 43 cited
Cu(1 1 1) supported graphene as a substrate for magnetic dimers with a large magnetic anisotropy: relativistic density-functional calculations
Journal of Physics Condensed Matter·2014· 7 cited
Semihydrogenation of Acetylene on the (010) Surface of GaPd<sub>2</sub>: Ga Enrichment Improves Selectivity
The Journal of Physical Chemistry C·2014· 37 cited
Selective semi-hydrogenation of acetylene: Atomistic scenario for reactions on the polar threefold surfaces of GaPd
Journal of Catalysis·2014· 45 cited
Structure and chemical reactivity of the polar three-fold surfaces of GaPd: A density-functional study
The Journal of Chemical Physics·2013· 21 cited
Surfaces of intermetallic compounds: An<i>ab initio</i>DFT study for B20-type AlPd
Physical Review B·2013· 21 cited
The (210) surface of intermetallic B20 compound GaPd as a selective hydrogenation catalyst: A DFT study
Journal of Catalysis·2012· 48 cited
Intermetallic Compound AlPd As a Selective Hydrogenation Catalyst: A DFT Study
The Journal of Physical Chemistry C·2012· 50 cited
Surface structures of complex intermetallic compounds: An<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:mtext mathvariant="bold">a</mml:mtext><mml:mtext>b</mml:mtext><mml:mspace width="4.pt"/><mml:mtext>initio</mml:mtext></mml:mrow></mml:math>DFT study for the (100) surface of o-Al<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:msub><mml:mrow/><mml:mn>13</mml:mn></mml:msub></mml:math>Co<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:msub><mml:mrow/><mml:mn>4</mml:mn></mml:msub></mml:math>
Physical Review B·2011· 21 cited
Dehydrogenation of propane over ZnMOR. Static and dynamic reaction energy diagram
Journal of Catalysis·2010· 46 cited
Response of fcc metals and<i>L</i>1<sub>2</sub>and<i>D</i>0<sub>22</sub>type trialuminides to uniaxial loading along [100] and [001]:<i>ab initio</i>DFT calculations
The Philosophical Magazine A Journal of Theoretical Experimental and Applied Physics·2010· 13 cited
Entropy effects in hydrocarbon conversion reactions: free-energy integrations and transition-path sampling
Journal of Physics Condensed Matter·2010· 35 cited
Structural model of quasiperiodic Pb monolayer deposited on fivefold i-Al-Pd-Mn surface
Journal of Physics Conference Series·2010· 3 citedOpen Access
Structure of the (010) surface of the orthorhombic complex metallic alloy<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:mi mathvariant="normal">T</mml:mi><mml:msub><mml:mrow><mml:mtext>-Al</mml:mtext></mml:mrow><mml:mn>3</mml:mn></mml:msub></mml:mrow></mml:math>(Mn,Pd)
Physical Review B·2010· 22 citedOpen Access
Magnetism at surfaces and defects in icosahedral Al-Pd-Mn quasicrystals
Physical Review B·2009· 9 cited
Quasiperiodic layers of free-electron metals studied using electron diffraction
Physical Review B·2009· 20 cited
Nucleation of Pb starfish clusters on the five-fold Al-Pd-Mn quasicrystal surface
Physical Review B·2009· 45 citedOpen Access
Magnetism and chemical ordering in icosahedral Al-Pd-Mn quasicrystal
Physical Review B·2008· 7 cited
Crystal structure prediction of LiBeH3 using <i>ab initio</i> total-energy calculations and evolutionary simulations
The Journal of Chemical Physics·2008· 19 cited
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Frequent Co-authors

Georg Kresse(25), J. Furthmüller(5), Pascal Raybaud(5), H. Toulhoat(5), Alexander Rohrbach(4), S. Kasztelan(3), A. Eichler(3), D. Hobbs(2), D. Spišák(2), W. Dong(2), W. Wolf(2), R. Podloucky(2), Martijn Marsman(2), W. Jank(2), M. Krajčı́(2), Anton Van der Ven(1), Mehmet Kadri Aydınol(1), Gerbrand Ceder(1), Maurício Aredes(1), Klemens Heumann(1)