Samankaltainen aineisto
Näytetään aineistoja, joilla on samankaltainen nimeke tai asiasanat.
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Cubic aromaticity in ligand-stabilized doped Au superatoms
López-Estrada, Omar; Selenius, Elli; Zuniga-Gutierrez, Bernardo; Malola, Sami; Häkkinen, Hannu (American Institute of Physic, 2021)The magnetic response of valence electrons in doped gold-based [M@Au8L8]q superatoms (M = Pd, Pt, Ag, Au, Cd, Hg, Ir, and Rh; L = PPh3; and q = 0, +1, +2) is studied by calculating the gauge including magnetically induced ... -
Supercrystal engineering of atomically precise gold nanoparticles promoted by surface dynamics
Yao, Qiaofeng; Liu, Lingmei; Malola, Sami; Ge, Meng; Xu, Hongyi; Wu, Zhennan; Chen, Tiankai; Cao, Yitao; Matus, María Francisca; Pihlajamäki, Antti; Han, Yu; Häkkinen, Hannu; Xie, Jianping (Nature Publishing Group, 2023)The controllable packing of functional nanoparticles (NPs) into crystalline lattices is of interest in the development of NP-based materials. Here we demonstrate that the size, morphology and symmetry of such supercrystals ... -
Thiol-Stabilized Atomically Precise, Superatomic Silver Nanoparticles for Catalyzing Cycloisomerization of Alkynyl Amines
Yan, Juanzhu; Zhang, Jun; Chen, Xumao; Malola, Sami; Zhou, Bo; Selenius, Elli; Zhang, Xiaomin; Yuan, Peng; Deng, Guocheng; Liu, Kunlong; Su, Haifeng; Teo, Boon K.; Häkkinen, Hannu; Zheng, Lansun; Zheng, Nanfeng (Oxford University Press on behalf of China Science Publishing & Media Ltd, 2018)Both the electronic and surface structures of metal nanomaterials play critical roles in determining their chemical properties. However, the non-molecular nature of conventional nanoparticles makes it extremely challenging ... -
Synthesis, characterization, and reactivity of heavier group 13 and 14 metallylenes and metalloid clusters : small molecule activation and more
Vasko, Petra (University of Jyväskylä, 2015) -
GPAW : An open Python package for electronic structure calculations
Mortensen, Jens Jørgen; Larsen, Ask Hjorth; Kuisma, Mikael; Ivanov, Aleksei V.; Taghizadeh, Alireza; Peterson, Andrew; Haldar, Anubhab; Dohn, Asmus Ougaard; Schäfer, Christian; Jónsson, Elvar Örn; Hermes, Eric D.; Nilsson, Fredrik Andreas; Kastlunger, Georg; Levi, Gianluca; Jónsson, Hannes; Häkkinen, Hannu; Fojt, Jakub; Kangsabanik, Jiban; Sødequist, Joachim; Lehtomäki, Jouko; Heske, Julian; Enkovaara, Jussi; Winther, Kirsten Trøstrup; Dulak, Marcin; Melander, Marko M.; Ovesen, Martin; Louhivuori, Martti; Walter, Michael; Gjerding, Morten; Lopez-Acevedo, Olga; Erhart, Paul; Warmbier, Robert; Würdemann, Rolf; Kaappa, Sami; Latini, Simone; Boland, Tara Maria; Bligaard, Thomas; Skovhus, Thorbjørn; Susi, Toma; Maxson, Tristan; Rossi, Tuomas; Chen, Xi; Schmerwitz, Yorick Leonard A.; Schiøtz, Jakob; Olsen, Thomas; Jacobsen, Karsten Wedel; Thygesen, Kristian Sommer (American Institute of Physics, 2024)We review the GPAW open-source Python package for electronic structure calculations. GPAW is based on the projector-augmented wave method and can solve the self-consistent density functional theory (DFT) equations using ...
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