Application of quantum chemistry to nanotechnology: electron and spin transport in molecular devices
Rapid progress of nanotechnology requires developing novel theoretical methods to explain
complicated experimental results and predict new functions of nanodevices. Thus, for the …
complicated experimental results and predict new functions of nanodevices. Thus, for the …
Perfect spin-filter and spin-valve in carbon atomic chains
We report ab initio calculations of spin-dependent transport in single atomic carbon chains
bridging two zigzag graphene nanoribbon electrodes. Our calculations show that carbon …
bridging two zigzag graphene nanoribbon electrodes. Our calculations show that carbon …
All-carbon molecular tunnel junctions
H Yan, AJ Bergren, RL McCreery - Journal of the American …, 2011 - ACS Publications
This Article explores the idea of using nonmetallic contacts for molecular electronics. Metal-
free, all-carbon molecular electronic junctions were fabricated by orienting a layer of organic …
free, all-carbon molecular electronic junctions were fabricated by orienting a layer of organic …
Doped GNR p–n junction as high performance NDR and rectifying device
On the basis of density functional theory and nonequilibrium Green's function technique, we
have presented theoretical results on transport properties of B-and N-doped aGNR p–n …
have presented theoretical results on transport properties of B-and N-doped aGNR p–n …
Negative differential resistance in zigzag-edge graphene nanoribbon junctions
We investigate the transport properties of p+/p junctions based on zigzag-edge graphene
strips by means of numerical quantum simulation. The p+ and p domains are created by field …
strips by means of numerical quantum simulation. The p+ and p domains are created by field …
Carbon nanotube, graphene, nanowire, and molecule‐based electron and spin transport phenomena using the nonequilibrium Green's function method at the level of …
Based on density functional theory, we have developed a program code to investigate the
electron transport characteristics for a variety of nanometer scaled devices in the presence …
electron transport characteristics for a variety of nanometer scaled devices in the presence …
Electronic transport properties in doped C60 molecular devices
XJ Zhang, MQ Long, KQ Chen, Z Shuai, Q Wan… - Applied Physics …, 2009 - pubs.aip.org
By applying nonequilibrium Green's functions in combination with the density-functional
theory, we investigate the electronic transport properties of molecular junctions constructed …
theory, we investigate the electronic transport properties of molecular junctions constructed …
A high performance N-doped graphene nanoribbon based spintronic device applicable with a wide range of adatoms
Designing and fabricating nanosize spintronic devices is a crucial task to develop
information technology of the future. However, most of the introduced spin filters suffer from …
information technology of the future. However, most of the introduced spin filters suffer from …
Understanding structures and electronic/spintronic properties of single molecules, nanowires, nanotubes, and nanoribbons towards the design of nanodevices
Theoretical understanding of metal nanowires and molecular devices is described towards
the design of novel nanodevices. We focus our attention on structures, electronic, and …
the design of novel nanodevices. We focus our attention on structures, electronic, and …
Enhancing Spin-Transport Characteristics, Spin-Filtering Efficiency, and Negative Differential Resistance in Exchange-Coupled Dinuclear Co (II) Complexes for …
Single-molecule spintronics, where electron transport occurs via a paramagnetic molecule,
has gained wide attention due to its potential applications in the area of memory devices to …
has gained wide attention due to its potential applications in the area of memory devices to …