2026-10-10T10:39:06Z https://api.figshare.com/v2/oai

oai:figshare.com:article/33250326 2026-09-26T07:02:17Z category_856 category_857 portal_81 item_type_3 month_year_09_2026

Preferential locations of catalytically active oxygen vacancies at Cr/ZnO interfaces during syngas conversion chengsheng yang (24565899) Sicong Ma (24565967) Xinhe Bao (6207283) Yifeng Zhu (24565964) Zhi-Pan Liu (18477970) Qiang Fu (6207286) Yong Cao (24570946) Fan Yang (24570949) Rui Ma (24570955) Xiao Kong (24570959) Chi Zhang (24570961) Rongtan Li (16817915) Beikai Ding (24570970) Catalysis and Mechanisms of Reactions Chemical Thermodynamics and Energetics DFT MODELS Optimised atomic coordinates for all DFT computational models: ZnO(10-10) surface, Cr1O1/ZnO, Cr1O0/ZnO (O-defective), Cr2O3 cluster/ZnO, and key intermediate states. 2026-09-26T07:02:17Z Dataset Dataset 10.6084/m9.figshare.33250326.v1 https://figshare.com/articles/dataset/Preferential_locations_of_catalytically_active_oxygen_vacancies_at_Cr_ZnO_interfaces_during_syngas_conversion/33250326 CC BY 4.0