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Georg Kastlunger

technical university of denmark

25H-index
102Paper Count
2.8KCitation Count
Published Papers 40
Publication Date
Improved hydrogen evolution activity descriptors from first-principles electrochemical kinetics
err2025-10-13
err0
errOAAI
errDipam Manish Patel; Simiam Ghan; Andreas Lynge Vishart; Georg Kastlunger
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A Perspective on the Reaction Mechanisms of CO2 Electrolysis
err2025-04-18
err1
PREAI
errSeger, B; Kastlunger, G; Bagger, A; Scott, SB
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Bridging Outer- and Inner-Sphere Electrosynthesis from Biomass-Derived Furfural Using Single Atom Catalysts
err2025-03-01
err0
PREAI
errLiu, Sihang; Mukadam, Zamaan; Pedersen, Angus; Barrio, Jesus; Parker, Joseph; Tyrrell, Helen; Haigh, Sarah J.; Titirici, Maria Magdalena; Stephens, Ifan E. L.; Kastlunger, Georg
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Benchmarking water adsorption on metal surfaces with ab initio molecular dynamics
err2024-06-26
err4
PREAI
errXu, Mianle; Liu, Sihang; Vijay, Sudarshan; Bligaard, Thomas; Kastlunger, Georg
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GPAW: An open Python package for electronic structure calculations
err2024-03-07
err58
errOAAI
errMortensen, Jens Jorgen; Larsen, Ask Hjorth; Kuisma, Mikael; Ivanov, Aleksei V.; Taghizadeh, Alireza; Peterson, Andrew; Haldar, Anubhab; Dohn, Asmus Ougaard; Schafer, Christian; Jonsson, Elvar Orn; Hermes, Eric D.; Nilsson, Fredrik Andreas; Kastlunger, Georg; Levi, Gianluca; Jonsson, Hannes; Hakkinen, Hannu; Fojt, Jakub; Kangsabanik, Jiban; Sodequist, Joachim; Lehtomaki, Jouko; Heske, Julian; Enkovaara, Jussi; Winther, Kirsten Trostrup; Dulak, Marcin; Melander, Marko M.; Ovesen, Martin; Louhivuori, Martti; Walter, Michael; Gjerding, Morten; Lopez-Acevedo, Olga; Erhart, Paul; Warmbier, Robert; Wuerdemann, Rolf; Kaappa, Sami; Latini, Simone; Boland, Tara Maria; Bligaard, Thomas; Skovhus, Thorbjorn; Susi, Toma; Maxson, Tristan; Rossi, Tuomas; Chen, Xi; Schmerwitz, Yorick Leonard A.; Schiotz, Jakob; Olsen, Thomas; Jacobsen, Karsten Wedel; Thygesen, Kristian Sommer
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Impact of palladium/palladium hydride conversion on electrochemical CO2 reduction via in-situ transmission electron microscopy and diffraction
err2024-01-31
err15
errOAAI
errAbdellah, Ahmed M.; Ismail, Fatma; Siig, Oliver W.; Yang, Jie; Andrei, Carmen M.; DiCecco, Liza-Anastasia; Rakhsha, Amirhossein; Salem, Kholoud E.; Grandfield, Kathryn; Bassim, Nabil; Black, Robert; Kastlunger, Georg; Soleymani, Leyla; Higgins, Drew
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Unraveling the rate-determining step of C2+ products during electrochemical CO reduction
err2024-01-30
err11
errOAAI
errDeng, Wanyu; Zhang, Peng; Qiao, Yu; Kastlunger, Georg; Govindarajan, Nitish; Xu, Aoni; Chorkendorff, Ib; Seger, Brian; Gong, Jinlong
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Fundamental Drivers of Electrochemical Barriers
err2023-12-08
err2
errOAAI
errChen, Xi; Kastlunger, Georg; Peterson, Andrew A.
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How to verify the precision of density-functional-theory implementations via reproducible and universal workflows
err2023-11-14
err7
errOAAI
errBosoni, Emanuele; Beal, Louis; Bercx, Marnik; Blaha, Peter; Bluegel, Stefan; Broeder, Jens; Callsen, Martin; Cottenier, Stefaan; Degomme, Augustin; Dikan, Vladimir; Eimre, Kristjan; Flage-Larsen, Espen; Fornari, Marco; Garcia, Alberto; Genovese, Luigi; Giantomassi, Matteo; Huber, Sebastiaan P.; Janssen, Henning; Kastlunger, Georg; Krack, Matthias; Kresse, Georg; Kuehne, Thomas D.; Lejaeghere, Kurt; Madsen, Georg K. H.; Marsman, Martijn; Marzari, Nicola; Michalicek, Gregor; Mirhosseini, Hossein; Mueller, Tiziano M. A.; Petretto, Guido; Pickard, Chris J.; Ponce, Samuel; Rignanese, Gian-Marco; Rubel, Oleg; Ruh, Thomas; Sluydts, Michael; Vanpoucke, Danny E. P.; Vijay, Sudarshan; Wolloch, Michael; Wortmann, Daniel; Yakutovich, Aliaksandr V.; Yu, Jusong; Zadoks, Austin; Zhu, Bonan; Pizzi, Giovanni
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Controlled Electrochemical Barrier Calculations without Potential Control
err2023-11-07
err12
errOAAI
errBeinlich, Simeon D.; Kastlunger, Georg; Reuter, Karsten; Hoermann, Nicolas G.
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2023 Roadmap on molecular modelling of electrochemical energy materials
err2023-10-30
err11
errOAAI
errZhang, Chao; Cheng, Jun; Chen, Yiming; Chan, Maria K. Y.; Cai, Qiong; Carvalho, Rodrigo P.; Marchiori, Cleber F. N.; Brandell, Daniel; Araujo, C. Moyses; Chen, Ming; Ji, Xiangyu; Feng, Guang; Goloviznina, Kateryna; Serva, Alessandra; Salanne, Mathieu; Mandai, Toshihiko; Hosaka, Tomooki; Alhanash, Mirna; Johansson, Patrik; Qiu, Yun-Ze; Xiao, Hai; Eikerling, Michael; Jinnouchi, Ryosuke; Melander, Marko M.; Kastlunger, Georg; Bouzid, Assil; Pasquarello, Alfredo; Shin, Seung-Jae; Kim, Minho M.; Kim, Hyungjun; Schwarz, Kathleen; Sundararaman, Ravishankar
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Impact of Anodic Oxidation Reactions in the Performance Evaluation of High-Rate CO2/CO Electrolysis
err2023-10-25
err4
errOAAI
errXu, Qiucheng; Liu, Sihang; Longhin, Francesco; Kastlunger, Georg; Chorkendorff, Ib; Seger, Brian
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Solvation of furfural at metal-water interfaces: Implications for aqueous phase hydrogenation reactions
err2023-08-22
err3
errOAAI
errLiu, Sihang; Vijay, Sudarshan; Xu, Mianle; Cao, Ang; Prats, Hector; Kastlunger, Georg; Heenen, Hendrik H.; Govindarajan, Nitish
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Mechanistic Insights into Aldehyde Production from Electrochemical CO2 Reduction on CuAg Alloy via Operando X-ray Measurements
err2023-06-30
err13
PREAI
errQiao, Yu; Kastlunger, Georg; Davis, Ryan C.; Rodriguez, Carlos Andreïs Giroïn; Vishart, Andreas; Deng, Wanyu; Xu, Qiucheng; Li, Shaofeng; Benedek, Peter; Chen, Junjie; Schro''der, Johanna; Perryman, Joseph; Lee, Dong Un; Jaramillo, Thomas F.; Chorkendorff, Ib; Seger, Brian
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On the Role of Cu+ and CuNi Alloy Phases in Mesoporous CuNi Catalyst for Furfural Hydrogenation
err2023-06-12
err33
PREAI
errFang, Wenting; Liu, Sihang; Steffensen, Astrid Kjaer; Schill, Leonhard; Kastlunger, Georg; Riisager, Anders
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Limits to scaling relations between adsorption energies?
err2022-06-16
err19
errOAAI
errVijay, Sudarshan; Kastlunger, Georg; Chan, Karen; Norskov, Jens K.
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