10967/205 - QDB Compounds

QsarDB Repository

Käärik, M.; Maran, U.; Arulepp, M.; Perkson, A.; Leis, J. Quantitative nano-structure-property relationships for the nanoporous carbon: Predicting the performance of energy storage materials. ACS Appl. Energy Mater. 2018, 1, 4016-4024

Compound

ID:38
Name:CDC_Ti8PTH
Description:
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CAS:
InChi Code:

Properties

Cv_pos: Volumetric anodic capacitance [F cm-3]

ValueSource or prediction
79.3

experimental value

83.1779

Tab1-2: Two-parameter model for volumetric anodic capacitance (SetA) (Training set)

Cv_neg: Volumetric cathodic capacitance [F cm-3]

ValueSource or prediction
72.4

experimental value

75.0542

Tab1-8: Two-parameter model for volumetric cathodic capacitance (SetA) (Training set)

74.3005

Tab2: Three-parameter model for volumetric cathodic capacitance - main model (SetA) (Training set)

74.275

SetB: Three-parameter model to verify influence of impurities from TiO2 derivatives (SetB) (Training set)

74.3626

Tab3: Three-parameter model to verify influence of H2O-activation of nanopores (SetC) (Training set)