Charge Density Analysis and Transport Properties of TTF Based Molecular Nanowires: A DFT Approach

<div><svg height="9.04777pt" id="M131" style="vertical-align:-0.04981995pt" version="1.1" viewbox="-0.0498162 -8.99795 5.91998 9.04777" width="5.91998pt" xmlns="http://www.w3.org/2000/svg" xmlns:xlink="http://www.w3.org/1999/xlink"><g transform="matrix(.0135,0,0,-0.0135,0,0)"><path d="M405 650H141L135 622C222 616 230 610 215 535L133 116C118 41 113 33 29 28L23 0H289L295 28C209 33 205 40 219 116L298 535C312 609 317 616 399 622L405 650Z" id="g113-74"></path><glyph.data ascent="3473" descent="-2876" horiz-adv-x="428" vert-adv-y="428"></glyph.data></g></svg>-<svg height="9.21094pt" id="M132" style="vertical-align:-0.2129908pt" version="1.1" viewbox="-0.0498162 -8.99795 9.74132 9.21094" width="9.74132pt" xmlns="http://www.w3.org/2000/svg" xmlns:xlink="http://www.w3.org/1999/xlink"><g transform="matrix(.0135,0,0,-0.0135,0,0)"><path d="M697 650H468L461 623L492 619C539 613 547 605 518 546C481 471 367 264 278 116H276C239 278 197 500 186 567C180 604 185 613 226 619L252 623L260 650H24L17 623C78 617 92 613 108 533L216 -11H247C365 200 515 462 560 529C616 612 624 615 689 623L697 650Z" id="g113-87"></path><glyph.data ascent="3473" descent="-2876" horiz-adv-x="709" vert-adv-y="709"></glyph.data></g></svg> Characteristics of Au and S substituted TTF based molecule for various applied EFs.</div>

Journal of Nanoscience

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Figure 7

Figure 7: Charge Density Analysis and Transport Properties of TTF Based Molecular Nanowires: A DFT Approach 