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ALL ARTICLE (500) DISSERTATION (8) BOOK (9) CONF (47) REPORT (2) MISC (1) PATENT (2) PEER REV (567)
2023
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Absorption versus adsorption

Davidsson, Joel ; Bertoldo, Fabian ; Thygesen, Kristian S. ; Armiento, Rickard
in: npj 2D Materials and Applications, vol: 7, issue: 1

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2023     |    DOI: https://doi.org/10.1038/s41699-023-00380-6

 

Abundance of second order topology in C3 symmetric two-dimensional insulators

Sødequist, Joachim ; Petralanda, Urko ; Olsen, Thomas
in: 2D materials, vol: 10

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2023     |    DOI: https://doi.org/10.1088/2053-1583/ac9fe2

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A Group-Theoretic Approach to the Origin of Chirality-Induced Spin-Selectivity in Nonmagnetic Molecular Junctions

Dednam, W. ; García-Blázquez, M. A. ; Zotti, Linda A. ; Lombardi, E. B. ; Sabater, C. ; Pakdel, S. ; Palacios, J. J.
in: ACS Nano, vol: 17, issue: 7, pages: 6452-6465

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2023     |    DOI: https://doi.org/10.1021/acsnano.2c11410

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Combining experiments on luminescent centres in hexagonal boron nitride with the polaron model and ab initio methods towards the identification of their microscopic origin

Fischer, Moritz ; Sajid, Ali ; Iles-Smith, Jake ; Hötger, Alexander ; Miakota, Denys I ; Svendsen, Mark K ; Kastl, Christoph ; Canulescu, Stela ; Xiao, Sanshui ; Wubs, Martijn ; Thygesen, Kristian S ; Holleitner, Alexander W ; Stenger, Nicolas
in: Nanoscale, vol: 2023

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2023     |    DOI: https://doi.org/10.1039/d3nr01511d

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Enriching Surface-Accessible CO2 in the Zero-Gap Anion-Exchange-Membrane-Based CO2 Electrolyzer

Xu, Qiucheng ; Xu, Aoni ; Garg, Sahil ; Moss, Asger ; Chorkendorff, Ib ; Bligaard, Thomas ; Seger, Brian
in: Angewandte Chemie International Edition, vol: 62, issue: 3

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2023     |    DOI: https://doi.org/10.1002/anie.202214383

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Enriching Surface‐Accessible CO2 in the Zero‐Gap Anion‐Exchange‐Membrane‐Based CO2 Electrolyzer

Xu, Qiucheng ; Xu, Aoni ; Garg, Sahil ; Moss, Asger ; Chorkendorff, Ib ; Bligaard, Thomas ; Seger, Brian
in: Angewandte Chemie, vol: 135, issue: 3

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2023     |    DOI: https://doi.org/10.1002/ange.202214383

 

Excitonic Insulators and Superfluidity in Two-Dimensional Bilayers without External Fields

Nilsson, F. ; Kuisma, M. ; Pakdel, S. ; Thygesen, K. S.
in: Journal of Physical Chemistry Letters, vol: 14, issue: 9, pages: 2277-2283

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2023     |    DOI: https://doi.org/10.1021/acs.jpclett.3c00090

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Exciton superfluidity in two-dimensional heterostructures from first principles

Højlund, Rune ; Grovn, Emil ; Pakdel, Sahar ; Thygesen, Kristian S. ; Nilsson, Fredrik
in: Physical Review B, vol: 108, issue: 1

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2023     |    DOI: https://doi.org/10.1103/PhysRevB.108.014506

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Exploring and machine learning structural instabilities in 2D materials

Manti, Simone ; Svendsen, Mark Kamper ; Knøsgaard, Nikolaj R. ; Lyngby, Peder M. ; Thygesen, Kristian S.
in: npj Computational Materials, vol: 9, issue: 1

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2023     |    DOI: https://doi.org/10.1038/s41524-023-00977-x

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Hundreds of new, stable, one-dimensional materials from a generative machine learning model

Moustafa, Hadeel ; Lyngby, Peder Meisner ; Mortensen, Jens Jørgen ; Thygesen, Kristian S. ; Jacobsen, Karsten W.
in: Physical Review Materials, vol: 7, issue: 1

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2023     |    DOI: https://doi.org/10.1103/PhysRevMaterials.7.014007


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