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2020
 

Energy-entropy competition in cation-hydroxyl interactions at the liquid water-Pt(111) interface

Kristoffersen, Henrik H. ; Chan, Karen ; Vegge, Tejs ; Hansen, Heine Anton
in: Chemical Communications

Type: Journal article (Peer reviewed)

Status: Accepted/In press     |    Year: 2020     |    DOI: https://doi.org/10.1039/c9cc07769c

 

From Trigonal to Cubic LiVO2: A High-Energy Phase Transition Towards Disordered Rock Salt Materials

Chable, Johann ; Baur, Christian ; Chang, Jinhyun ; Wenzel, Sebastian ; García Lastra, Juan Maria ; Vegge, Tejs
in: Journal of Physical Chemistry C

Type: Journal article (Peer reviewed)

Status: Accepted/In press     |    Year: 2020     |    DOI: https://doi.org/10.1021/acs.jpcc.9b11235

 

Machine Learning Accelerated Genetic Algorithms for Computational Materials Search

Jennings, Paul ; Lysgaard, Steen ; Hummelshøj, Jens Strabo ; Vegge, Tejs ; Bligaard, Thomas
in: Npj Computational Materials

Type: Journal article (Peer reviewed)

Status: Accepted/In press     |    Year: 2020

 

Thermally Activated Delayed Fluorescent Donor-Acceptor-Donor-Acceptor π-Conjugated Macrocycle for Organic Light-Emitting Diodes

Izumi, Saika ; Higginbotham, Heather F. ; Nyga, Aleksandra ; Stachelek, Patrycja ; Tohnai, Norimitsu ; de Silva, Piotr ; Data, Przemyslaw ; Takeda, Youhei ; Minakata, Satoshi
in: Journal of the American Chemical Society

Type: Journal article (Peer reviewed)

Status: Accepted/In press     |    Year: 2020     |    DOI: https://doi.org/10.1021/jacs.9b11578

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Towards Photoferroic Materials by Design: Recent Progresses and Perspective

Castelli, Ivano E. ; Olsen, Thomas ; Chen, Yunzhong
in: Journal of Physics: Energy, vol: 2, issue: 1

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2020     |    DOI: https://doi.org/10.1088/2515-7655/ab428c

2019
 

Functional Role of Fe-Doping in Co-Based Perovskite Oxide Catalysts for Oxygen Evolution Reaction

Kim, Bae-Jung ; Fabbri, Emiliana ; Abbott, Daniel F ; Cheng, Xi ; Clark, Adam H ; Nachtegaal, Maarten ; Borlaf, Mario ; Castelli, Ivano E. ; Graule, Thomas ; Schmidt, Thomas J
in: Journal of the American Chemical Society, vol: 141, issue: 13, pages: 5231-5240

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2019     |    DOI: https://doi.org/10.1021/jacs.8b12101

 

2D transition metal–TCNQ sheets as bifunctional single-atom catalysts for oxygen reduction and evolution reaction (ORR/OER)

Deng, Qingming ; Zhao, Jiong ; Wu, Tiantian ; Chen, Guibin ; Hansen, Heine Anton ; Vegge, Tejs
in: Journal of Catalysis, vol: 370, pages: 378-384

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2019     |    DOI: https://doi.org/10.1016/j.jcat.2018.12.012

 

Anion amphiprotic ionic liquids as protic electrolyte matrices allowing sodium metal plating

Jankowski, Piotr ; Matuszek, Karolina ; Treskow, Marcel ; Armand, Michel ; MacFarlane, Douglas ; Johansson, Patrik
in: Chemical Communications, vol: 55, issue: 83, pages: 12523-12526

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2019     |    DOI: https://doi.org/10.1039/c9cc06083a