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"en": "Gaussian approximation potential (GAP) for SnOx nanoparticles. It has been fitted with QUIP/GAP by generating a new database of atomic structures containing: \r\n1. dimers Sn-Sn, Sn-O, O-O;\r\n2. Sn, SnO, SnO2 bulk structures;\r\n3. surface slabs;\r\n4. nanoparticles (SnO_(93.8-81.3)%, SnO_50%, SnO_(19-3.1)%, Sn)\r\nThe calculations were carried out at the PBE level of theory using the VASP code. This potential uses 2-body (distance_2b) and SOAP-type descriptors (soap_turbo). The files can be used both with QUIP/GAP (compiled with the soap_turbo libraries) and TurboGAP.\r\n\r\nThis is the reference publication for this potential: Junjie Shi, Paulina Pršlja*, Benjin Jin, Milla Suominen, Jani Sainio, Hua Jiang, Nana Han, Daria Robertson, Janez Košir, Miguel Caro, and Tanja Kallio*. \"Experimental and Computational Study Towards Identifying Active Sites of Supported SnOx Nanoparticles for Electrochemical CO2 Reduction Using Machine-Learned Interatomic Potentials\". Small 2024, 2402190"
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