Kristian Sommer Thygesen - Publications - DTU Orbit

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2013
Published
Avoiding pitfalls in the modeling of electrochemical interfaces. / Björketun, Mårten ; Zeng, Zhenhua ; Ahmed, Rizwan ; Tripkovic, Vladimir ; Thygesen, Kristian S.; Rossmeisl, Jan.
In: Chemical Physics Letters, Vol. 555, 2013, p. 145-148.
Publication: Research - peer-review › Journal article – Annual report year: 2013
Published
DFT+U study of polaronic conduction in Li₂O₂ and Li₂CO₃ : Implications for Li-air batteries. / García Lastra, Juan Maria ; Myrdal, J.S.G.; Christensen, Rune ; Thygesen, K.S.; Vegge, T.
In: The Journal of Physical Chemistry Part C: Nanomaterials, Interfaces and Hard Matter, Vol. 117, No. 11, 2013, p. 5568-5577.
Publication: Research - peer-review › Journal article – Annual report year: 2013
Published
DFT+U Study of Polaronic Conduction in Li₂O₂ and Li₂CO₃: Implications for Li-air Batteries. / García Lastra, Juan Maria ; Mýrdal, Jón Steinar Garðarsson ; Christensen, Rune ; Thygesen, Kristian Sommer ; Vegge, Tejs.
In: The Journal of Physical Chemistry Part C: Nanomaterials, Interfaces and Hard Matter, Vol. 117, 2013, p. 5568-5577.
Publication: Research - peer-review › Journal article – Annual report year: 2013
Published
Random phase approximation applied to solids, molecules, and graphene-metal interfaces : From van der Waals to covalent bonding. / Olsen, Thomas ; Thygesen, Kristian S.
In: Physical Review B (Condensed Matter and Materials Physics), Vol. 87, No. 7, 2013, p. 075111.
Publication: Research - peer-review › Journal article – Annual report year: 2013
2012
Published
Ab initio nonequilibrium quantum transport and forces with the real-space projector augmented wave method. / Chen, Jingzhe ; Thygesen, Kristian S.; Jacobsen, Karsten W.
In: Physical Review B (Condensed Matter and Materials Physics), Vol. 85, No. 15, 2012, p. 155140.
Publication: Research - peer-review › Journal article – Annual report year: 2012
Published
Computational screening of perovskite metal oxides for optimal solar light capture. / Castelli, Ivano Eligio ; Olsen, Thomas ; Datta, Soumendu ; Dahl, Søren ; Thygesen, Kristian Sommer ; Jacobsen, Karsten Wedel.
In: Energy & Environmental Science, 2012.
Publication: Research - peer-review › Journal article – Annual report year: 2011
Published
Conventional and acoustic surface plasmons on noble metal surfaces: a time-dependent density functional theory study. / Yan, Jun ; Jacobsen, Karsten W.; Thygesen, Kristian S.
In: Physical Review B (Condensed Matter and Materials Physics), Vol. 86, No. 24, 2012, p. 241404.
Publication: Research - peer-review › Journal article – Annual report year: 2012
Published
Extending the random-phase approximation for electronic correlation energies: the renormalized adiabatic local density approximation. / Olsen, Thomas ; Thygesen, Kristian S.
In: Physical Review B (Condensed Matter and Materials Physics), Vol. 86, No. 8, 2012, p. 081103.
Publication: Research - peer-review › Journal article – Annual report year: 2012
Published
First-principles quantum transport modeling of thermoelectricity in single-molecule nanojunctions with graphene nanoribbon electrodes. / Nikolic, Branislav K.; Saha, Kamal K.; Markussen, Troels ; Thygesen, Kristian S.
In: Journal of Computational Electronics, Vol. 11, No. 1, 2012, p. 78-92.
Publication: Research - peer-review › Journal article – Annual report year: 2012
Published
Image-charge-induced localization of molecular orbitals at metal-molecule interfaces : Self-consistent GW calculations. / Strange, M.; Thygesen, K. S.
In: Physical Review B (Condensed Matter and Materials Physics), Vol. 86, No. 19, 2012, p. 195121.
Publication: Research - peer-review › Journal article – Annual report year: 2012

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