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Geoffrey Monet

Supplementary materials 2020' PRB

07 Feb 2020 - Geoffrey

Solid wetting-layers at inorganic nano-reactors: the water at imogolite nanotubes case

G. Monet, E. Paineau, Z. Chai, M.S. Amara, A. Orecchini, M. Jimenéz-Ruiz, A. Ruiz-Caridad, L. Fine, S. Rouzière, L.-M. Liu, G. Teobaldi, S. Rols and P. Launois

Filtering

Dry GeOH

Hin Twisting - 52 meV - 2 meV with s=1
Hin Scissoring - 126 meV - 120 meV with s=5
Hin Stretching - 461 meV - 457 meV with s=20
Hout Bending A - 120 meV - 114 meV with s=5
Hout Bending B - 111 meV - 103 meV with s=5
Hout Bending C - 102 meV - 90 meV with s=5
Hout Stretching A - 461 meV - 457 meV with s=20
Hout Stretching B & C - 470 meV - 465 meV with s=20

pHyd GeOH

Hin Twisting - 151 meV - 126 meV with s=5
Hin Scissoring - 166 meV - 151 meV with s=5
Hin Stretching - 375 meV - 245 meV with s=5
Hout Bending A - 124 meV - 114 meV with s=5
Hout Bending B - 110 meV - 103 meV with s=5
Hout Bending C - 102 meV - 95 meV with s=5
Hout Stretching A - 461 meV - 457 meV with s=20
Hout Stretching B & C - 470 meV - 465 meV with s=20
HH2O Translation - 22 meV - 8 meV with s=2
HH2O Libration - 100 meV - 55 meV with s=2
HH2O Bending - 210 meV - 196 meV with s=5
HH2O Stretching - 452 meV - 400 meV with s=5