%0 Journal Article %1 WOS:000243693600027 %A Lemos, V %A Guerini, S %A Abreu, R F %A Filho, J Mendes %A Fagan, Solange B %C POSTFACH 101161, 69451 WEINHEIM, GERMANY %D 2007 %I WILEY-V C H VERLAG GMBH %J PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS %K imported %N 1 %P 151-155 %R 10.1002/pssb.200672586 %T Interaction of a methanol molecule with C-60 under pressure %V 244 %X The interaction between a C-60 molecule with methanol, the main composition of the currently employed pressure transmitting fluid was studied. The simulations include C-60 under hydrostatic or uniaxial pressure interacting with methanol. The relaxed structure as well as the binding energies and the electronic density of states were obtained. The analysis of binding energy indicates that the methanol molecule is attracted to C-60 under hydrostatic pressure, while repulsed if the pressure is uniaxial. The results establish that the mechanisms of interaction between this nanometer scale system and the medium may change during the compression. Density of states results indicate severe changes in the Raman spectrum of the system under compression. (C) 2007 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

@article{WOS:000243693600027, abstract = {The interaction between a C-60 molecule with methanol, the main composition of the currently employed pressure transmitting fluid was studied. The simulations include C-60 under hydrostatic or uniaxial pressure interacting with methanol. The relaxed structure as well as the binding energies and the electronic density of states were obtained. The analysis of binding energy indicates that the methanol molecule is attracted to C-60 under hydrostatic pressure, while repulsed if the pressure is uniaxial. The results establish that the mechanisms of interaction between this nanometer scale system and the medium may change during the compression. Density of states results indicate severe changes in the Raman spectrum of the system under compression. (C) 2007 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.}, added-at = {2022-05-23T20:00:14.000+0200}, address = {POSTFACH 101161, 69451 WEINHEIM, GERMANY}, author = {Lemos, V and Guerini, S and Abreu, R F and Filho, J Mendes and Fagan, Solange B}, biburl = {https://www.bibsonomy.org/bibtex/21fd0f8860ffa886af21823d530482484/ppgfis_ufc_br}, doi = {10.1002/pssb.200672586}, interhash = {86368aee33dc1ae8a87801bc47e235a7}, intrahash = {1fd0f8860ffa886af21823d530482484}, issn = {0370-1972}, journal = {PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS}, keywords = {imported}, note = {12th International Conference on High Pressure Semiconductor Physics (HPSP-12), Barcelona, SPAIN, JUL 31-AUG 03, 2006}, number = 1, pages = {151-155}, publisher = {WILEY-V C H VERLAG GMBH}, pubstate = {published}, timestamp = {2022-05-23T20:00:14.000+0200}, title = {Interaction of a methanol molecule with C-60 under pressure}, tppubtype = {article}, volume = 244, year = 2007 }