A model was developed, for H diffusion and passivation, which explained experimental observations of solar cell passivation, such as variations in the degree of passivation in differing substrates, passivation due to annealing after Al alloying, and the effects of plasma-enhanced chemical vapor deposition nitridation. Two important features of the model were a new H diffusion mechanism that involved H-vacancy complex formation, and surface damage which produced a high H solubility at the surface and the dissociation of molecular H at low temperatures. The theoretical analysis was based upon static potential energy surfaces at the  ab initio  Hartree-Fock level.

B.L.Sopori, X.Deng, J.P.Benner, A.Rohatgi, P.Sana, S.K.Estreicher, Y.K.Park, M.A.Roberson: Solar Energy Materials and Solar Cells, 1996, 41-42, 159-69

Memorandum: Si in Si

1200-1400C, 1.8 x 103 exp[-4.77(eV)/kT] (Physica Status Solidi, 1966, 15, K119); 900-1300C, 1.81 x 104 exp[-4.86(eV)/kT] (Journal of Applied Physics, 1964, 35, 240); 1178-1300C, 1200 exp[-4.72(eV)/kT] (Physical Review Letters, 1966, 16, 890); 1100-1300C, 9000 exp[-5.13(eV)/kT] (Journal of Applied Physics, 1967, 38, 3148); 970-1070C, 5.8 exp[-4.1(eV)/kT] (Journal of Materials Science, 1974, 9, 1987); 1047-1387C, 1460 exp[-5.02(eV)/kT] (Institute of Physics Conference Series, 1976, 31, 186); 885-1175C, 154 exp[-4.66(eV)/kT] (Applied Physics Letters, 1979, 35, 211); 900-1100C, 8.0 exp[4.1(eV)/kT] (Applied Physics Letters, 1979, 35, 703); 830-1200C, 20 exp[-4.4(eV)/kT] (Physics Letters A, 1983, 93, 503); 460-1200C, 0.335 exp[-1.86(eV)/kT] (Journal of Applied Physics, 1990, 67, 7624)

Compensation Chart: Si in Si

(vertical axis shifted by arbitrary factor)