Self-consistent study of single molecular transistor modulated by transverse field

نویسندگان
چکیده

برای دانلود باید عضویت طلایی داشته باشید

برای دانلود متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

منابع مشابه

A self-consistent field molecular orbital study of hydroxyguanidine.

Theoretical self-consistent field molecular orbital calculations indicate that the hydroxyguanidinium ion can dissociate in alkaline or neutral medium by the loss of the hydroxyl proton, leading to the formation of a strong nucleophilic agent which can attack a positive receptor in enzymes, acting in this way as an antitumor and an antiviral agent. Geometry optimization, total energies, and net...

متن کامل

Modeling and Simulation of a Molecular Single-Electron Transistor

In this paper, to understand the concept of coupling, molecule density of states that coupled to the metal electrodes will be explained then, based on this concept, a weak and strong coupling for the molecules attached to the metal electrodes will be described. Capacitance model is used to explore the connection of addition energy with the Electron affinity and the ionization energy of the mole...

متن کامل

Approximations to self-consistent field molecular wavefunctions.

Unparameterized and parameterized versions are outlined of a new method for approximating self-consistent field wavefunctions from first principles at the minimum basis set level for complex molecules containing hydrogen and first-row atoms. The Hartree-Fock self-consistent field equations for closed-shell molecules are solved, retaining all one-electron integrals, and approximating the two-ele...

متن کامل

Self-Consistent Field study of Polyelectrolyte Brushes

We formulate a self-consistent field theory for polyelectrolyte brushes in the presence of counterions. We numerically solve the self-consistent field equations and study the monomer density profile, the distribution of counterions, and the total charge distribution. We study the scaling relations for the brush height and compare them to the prediction of other theories. We find a weak dependen...

متن کامل

Single-molecule transistor fabrication by self-aligned lithography and in situ molecular assembly

We describe the fabrication of single-molecule transistors by self-aligned lithography and in situ molecular assembly. Ultrathin metallic electrodes are patterned with a nanoscale interelectrode separation defined by the lateral oxidation of a thin layer of Al. Highly conjugated molecular units are sequentially assembled within the electrode gap by selective design of the molecular end group ch...

متن کامل

ذخیره در منابع من


  با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید

ژورنال

عنوان ژورنال: The Journal of Chemical Physics

سال: 2006

ISSN: 0021-9606,1089-7690

DOI: 10.1063/1.2337286