Table 5 The calculated adsorption energies (Eads in eV)) for the considered full dyes on TiO2 anatase (101) surface.

From: Revealing the influence of Cyano in Anchoring Groups of Organic Dyes on Adsorption Stability and Photovoltaic Properties for Dye-Sensitized Solar Cells

System

Eads(eV)

DÏ€-CDM-COOH

−1.16 (−0.42)

DÏ€-CNCDM-COOH

−1.19 (−0.39)

DÏ€-TP-COOH

−1.18 (−0.48)

DÏ€-CNTP COOH

−1.28 (−0.47)

DÏ€-CDT-COOH

−1.20 (−0.49)

DÏ€-CNCDT-COOH

−1.24 (−0.45)

  1. The values in the parenthesis are adsorption energies before considering vdW correction.
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