CAMD Publications

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2022
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Spin coherence times of point defects in two-dimensional materials from first principles

Sajid, A. ; Thygesen, Kristian S.
in: Physical Review B, vol: 106, issue: 10

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2022     |    DOI: https://doi.org/10.1103/PhysRevB.106.104108

 

Structure and energetics of liquid water-hydroxyl layers on Pt(111)

Mikkelsen, August E. G. ; Kristoffersen, Henrik H. ; Schiøtz, Jakob ; Vegge, Tejs ; Hansen, Heine A. ; Jacobsen, Karsten W.
in: Physical Chemistry Chemical Physics, vol: 24, issue: 17, pages: 9885-9890

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2022     |    DOI: https://doi.org/10.1039/d2cp00190j

 

Structure modulation for bandgap engineered vacancy-ordered Cs3Bi2Br9 perovskite structures through copper alloying

Elattar, Amr ; Kobera, Libor ; Kangsabanik, Jiban ; Suzuki, Hiroo ; Abbrent, Sabina ; Nishikawa, Takeshi ; Thygesen, Kristian S. ; Brus, Jiri ; Hayashi, Yasuhiko
in: Journal of Materials Chemistry C, vol: 10, pages: 12863–12872

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2022     |    DOI: https://doi.org/10.1039/d2tc01762h

 

WSe2 as Transparent Top Gate for Infrared Near-Field Microscopy

Hesp, Niels C.H. ; Svendsen, Mark Kamper ; Watanabe, Kenji ; Taniguchi, Takashi ; Thygesen, Kristian S. ; Torre, Iacopo ; Koppens, Frank H.L.
in: Nano Letters, vol: 22, issue: 15, pages: 6200-6206

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2022     |    DOI: https://doi.org/10.1021/acs.nanolett.2c01658

2021
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Assessing the role of quantum effects in two-dimensional heterophase MoTe2 field effect transistors

Jelver, Line ; Hansen, Ole ; Jacobsen, Karsten Wedel
in: Physical Review B, vol: 104, issue: 4

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2021     |    DOI: https://doi.org/10.1103/PhysRevB.104.045313

 

Atomic-scale Modeling of 2D Material Based Contacts and Transistors for Nanoscale Electronics

Jelver, L. ; Jacobsen, K. W. ; Hansen, O. ; Smidstrup, S. ; Arcisauskaite, V. ; Blom, A.
part of: Proceedings of 2021 IEEE 16th Nanotechnology Materials and Devices Conference (NMDC), 2022
Presented at:
16th Nanotechnology Materials and Devices Conference

Type: Conference abstract in proceedings (Peer reviewed)

Status: Published     |    Year: 2021     |    DOI: https://doi.org/10.1109/NMDC50713.2021.9677494

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Atomic Simulation Recipes

Gjerding, Morten ; Skovhus, Thorbjørn ; Rasmussen, Asbjørn ; Bertoldo, Fabian ; Larsen, Ask Hjorth ; Mortensen, Jens Jørgen ; Thygesen, Kristian Sommer
in: Computational Materials Science, vol: 199

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2021     |    DOI: https://doi.org/10.1016/j.commatsci.2021.110731

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Atomic Structure Optimization with Machine-Learning Enabled Interpolation between Chemical Elements

Kaappa, Sami ; Larsen, Casper ; Jacobsen, Karsten Wedel
in: Physical Review Letters, vol: 127, issue: 16

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2021     |    DOI: https://doi.org/10.1103/PhysRevLett.127.166001

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Author Correction

Lukman, Steven ; Ding, Lu ; Xu, Lei ; Tao, Ye ; Riis-Jensen, Anders C. ; Zhang, Gang ; Wu, Qing Yang Steve ; Yang, Ming ; Luo, Sheng ; Hsu, Chuanghan ; Yao, Liangzi ; Liang, Gengchiau ; Lin, Hsin ; Zhang, Yong Wei ; Thygesen, Kristian S. ; Wang, Qi Jie ; Feng, Yuanping ; Teng, Jinghua
in: Nature Nanotechnology, vol: 16, issue: 3, pages: 354-354

Type: Comment/debate (Peer reviewed)

Status: Published     |    Year: 2021     |    DOI: https://doi.org/10.1038/s41565-021-00865-9

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Band structure of MoSTe Janus nanotubes

Guldberg Mikkelsen, August Edwards ; Bölle, Felix Tim ; Thygesen, Kristian Sommer ; Vegge, Tejs ; Castelli, Ivano Eligio
in: Physical Review Materials, vol: 5, issue: 1

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2021     |    DOI: https://doi.org/10.1103/PhysRevMaterials.5.014002