Direct and Indirect Reactions

Contains direct and indirect reactions between fluorinated and defluorinated materials.

Column titles are defined below.
orig_indexOriginal index from initial database filtering
f_formReduced formula of fluorinated structure
def_formReduced formula of defluorinated structure
voltageVoltage of F/deF pair vs Li/Li+
vol_p_fVolume per mobile F (Å3) (fluorinated)
per_expPercent expansion from defluorinated to fluorinated
grav_capGravimetric capacity (mAh/g) (fluorinated)
grav_e_denGravimetric energy density (Wh/kg) (fluorinated)
vol_e_denVolumetric energy density (Wh/L) (fluorinated)
f_transferNumber of mobile F ions between pair
f_cost_p_kg$/kg of fluorinated structure
def_cost_p_kg$/kg of defluorinated structure
f_cost_p_mol$/mol of fluorinated structure
def_cost_p_mol$/mol of defluorinated structure
cost_p_mol_f$/mol of mobile F ion (fluorinated)
log_cost_p_mol_fLog of $/mol of mobile F ion (fluorinated)
f_idMaterials Project ID (fluorinated)
def_idMaterials Project ID (defluorinated)
f_spacegroupSpacegroup number (fluorinated)
def_spacegroupSpacegroup number (defluorinated)
f_e_hullHull energy (eV) (fluorinated)
def_e_hullHull energy (eV) (defluorinated)
f_bandgapBandgap (eV) (fluorinated)
def_bandgapBandgap (eV) (defluorinated)
f_barrierDiffusion barrier (eV) (fluorinated)
def_barrierDiffusion barrier (eV) (defluorinated)
directIs conversion a direct reaction?
productsProducts of interface reaction (equal to F structure if direct)
typeComplete or partial defluorination