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SaveBridging Outer- and Inner-Sphere Electrosynthesis from Biomass-Derived Furfural Using Single Atom Catalysts
Liu, 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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SaveGPAW: An open Python package for electronic structure calculations
Mortensen, 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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SaveImpact of palladium/palladium hydride conversion on electrochemical CO2 reduction via in-situ transmission electron microscopy and diffraction
Abdellah, 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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SaveHow to verify the precision of density-functional-theory implementations via reproducible and universal workflows
Bosoni, 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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Save2023 Roadmap on molecular modelling of electrochemical energy materials
Zhang, 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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SaveMechanistic Insights into Aldehyde Production from Electrochemical CO2 Reduction on CuAg Alloy via Operando X-ray Measurements
Qiao, 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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