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Artículo
Electronic states for excess electrons in polyethylene compared to long-chain alkanes
(Elsevier, 2003)
We use a pseudopotential model to calculate the electronic states available to an excess electron in crystalline and amorphous regions of model polyethlyene as well as the molecular crystal of the linear alkane C27H56. It ...
Artículo
Single electron states in polyethylene
(American Institute of Physics, 2014)
We report computer simulations of an excess electron in various structural motifs of polyethylene at room temperature, including lamellar and interfacial regions between amorphous and lamellae, as well as nanometre-sized ...
Artículo
Electronic transport in disordered n-alkanes: From fluid methane to amorphous polyethylene
(American Institute of Physics, 2003)
We use a fast Fourier transform block Lanczos diagonalization algorithm to study the electronic states of excess electrons in fluid alkanes (methane, ethane, and propane) and in a molecular model of amorphous polyethylene ...
Artículo
Computer simulations of localized small polarons in amorphous polyethylene
(American Institute of Physics, 2004)
We use a simple mean field scheme to compute the polarization energy of an excess electron in amorphous polyethylene that allows us to study dynamical properties. Nonadiabatic simulations of an excess electron in amorphous ...