Structural Dependence of Electronic Properties in A-A-D-A-A-Type Organic Solar Cell Material

<div>Two-dimensional potential energy surface of the BCNDTS molecule as a function of the two angles <svg height="6.42315pt" id="M30" style="vertical-align:-0.2129903pt" version="1.1" viewbox="-0.0498162 -6.21016 7.82384 6.42315" width="7.82384pt" 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="M545 106L524 126C493 85 467 65 455 65C438 65 427 113 405 238C448 295 498 362 543 439L533 448L478 435C453 386 423 331 398 295H395C370 404 347 448 282 448C169 448 23 309 23 153C23 54 65 -12 128 -12C203 -12 283 70 339 155H341C360 29 380 -12 411 -12C444 -12 491 11 545 106ZM333 204C265 95 210 54 169 54C137 54 113 96 113 171C113 302 191 405 252 405C301 405 318 306 333 204Z" id="g113-223"></path><glyph.data ascent="3473" descent="-2876" horiz-adv-x="568" vert-adv-y="568"></glyph.data></g></svg> and <svg height="13.2498pt" id="M31" style="vertical-align:-3.571899pt" version="1.1" viewbox="-0.0498162 -9.6779 8.00062 13.2498" width="8.00062pt" 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="M558 587C558 666 497 712 432 712C379 712 330 691 284 650C212 586 178 508 148 348L71 -65C49 -185 35 -229 23 -235L27 -261C49 -259 101 -251 124 -224C131 -216 138 -178 159 -24C171 66 197 200 227 356C264 550 295 668 393 668C443 668 479 632 479 575C479 516 446 458 383 418C361 404 344 398 318 397L296 350C395 338 460 281 460 192C460 110 411 40 300 40C258 40 215 55 192 69L181 51C191 18 222 -16 266 -16C308 -16 351 1 397 26C471 67 545 142 545 221C545 315 486 365 401 395C469 437 558 498 558 587Z" id="g113-224"></path><glyph.data ascent="3473" descent="-2876" horiz-adv-x="581" vert-adv-y="581"></glyph.data></g></svg>.</div>

International Journal of Photoenergy

fig2

Figure 2

Figure 2: Structural Dependence of Electronic Properties in A-A-D-A-A-Type Organic Solar Cell Material 