Predictive machine learning approaches for perovskites properties using their chemical formula: towards the discovery of stable solar cells materialsMATERIALS scienceSTANDARD deviationsBAND gapsSOLAR cellsCHEMICAL formulasPEROVSKITEIn recent years, notable progress in computational density functional theory (DFT) ...
Examples: ‘perovskite’, ‘sphalerite’, ‘A15’. 示例:‘perovskite’, ‘sphalerite’, ‘A15’。 [chemical] [chemical] _chemical_name_systematic(char) IUPAC or Chemical Abstracts full name of the compound. 化合物的IUPAC或化学文摘全名。 Example: ‘1-bromoestra-1,3,5(10)-triene-3,17\b-di...
In this context, transition metal oxides with a double perovskite structure have attracted considerable attention because of their unique electrical, magnetic, and elastic properties5,6,7. The simple ABO3chemical formula of perovskites allows for high structural and compositional flexibility, as both A ...
For the fundamental research on the catalytic properties of the mixed oxides, a perovskite-type oxide with a chemical formula of ABO, has been used as ... K Ichimura,YI&I Yasumori - 《Catalysis Reviews》 被引量: 20发表: 1992年 METHOD FOR THE PRODUCTION OF LIGHT HYDROCARBONS FROM GAS WITH...
Examination of Perovskite Structure CaMnO3-δ with MgO Addition as Oxygen Carrier for Chemical Looping with Oxygen Uncoupling Using Methane and Syngas Perovskite structure oxygen carriers with the general formula CaMnxMg1-xO3-?? were spray-dried and examined in a batch fluidized bed reactor. The ...
The homologous sequences of families are aligned to permit rapid correlations of structure and to facilitate the formula- tion of laws of relationship among them. Structure, Properties and Preparation of Perovskite-Type Com- pounds. F. S. GALASSO. Oxford, London, New York: Pergamon Press. 1969...
Synergistic Effect of Sodium Cyanoborohydride in Pb-Sn Perovskite Solar Cells. Advanced Functional Materials, 2023; 2304201. [3] Gupton J, et al. The Sodium Borohydride and Sodium Cyanoborohydride Reduction of Unsymmetrically Substituted 3-Chloro-2-propeniminium Salts. Synthetic Communications, 1986; ...
Electron microscopic technique provides evidence for local ordering which is more microscopic than XRD. It is also possible to study ordering in A(B′1/3B″2/3)O3 type complex perovskite compounds based on vibrational spectroscopy which is highly sensitive to the short range ordering. It has ...
For example, a kernel ridge regression (KRR) model cross-validated by different scales successfully predicted the band gap of Perovskite [23]. Ling et al. [24] successfully predicted the energy band gap of bismuth-based semiconductors by establishing a mapping relationship between the energy band...
1. An inorganic/organic hybrid perovskite compound precursor comprising an organic cation (A), a metal cation (M), a halogen anion (X), and a guest molecule (GM), satisfying Chemical Formula 2: AM(GM)nX3 wherein n is a real number of 0<n<3, and being a solvate of the inorganic/...