Theoretical Study of Electronic Structure of Charged Fullerenes

<div>The energies of electron levels for fullerene ion <svg height="15.4664pt" id="M70" style="vertical-align:-3.875pt" version="1.1" viewbox="-0.0498162 -11.5914 23.8962 15.4664" width="23.8962pt" xmlns="http://www.w3.org/2000/svg" xmlns:xlink="http://www.w3.org/1999/xlink"><g transform="matrix(.013,0,0,-0.013,0,0)"><path d="M625 186C574 85 512 32 429 32C293 32 194 153 194 337C194 485 274 621 419 621C496 621 573 586 606 468L643 475C636 537 629 583 620 638C593 644 519 665 438 665C199 665 42 523 42 317C42 158 152 -15 418 -15C486 -15 578 5 604 11C621 46 647 122 660 171L625 186Z"></path></g><g transform="matrix(.0091,0,0,-0.0091,8.821,-5.741)"><path d="M556 236V289H337V504H275V289H56V236H275V-4H337V236H556Z"></path></g><g transform="matrix(.0091,0,0,-0.0091,14.381,-5.741)"><path d="M389 0V32C297 38 291 46 291 118V635C234 613 175 595 109 583V556L161 554C203 552 207 547 207 497V118C207 46 201 38 110 32V0H389Z"></path></g><g transform="matrix(.0091,0,0,-0.0091,18.813,-5.741)"><path d="M245 635C92 635 37 457 37 312C37 149 91 -12 244 -12C395 -12 449 166 449 312C449 469 395 635 245 635ZM243 598C332 598 358 454 358 312C358 173 334 26 245 26C158 26 128 174 128 313S152 598 243 598Z"></path></g><g transform="matrix(.0091,0,0,-0.0091,8.821,3.784)"><path d="M182 362C213 481 298 537 348 562C383 579 427 591 457 597L449 641C411 636 339 622 298 609C180 570 28 457 28 245C28 84 128 -12 256 -12C390 -12 487 89 487 216C487 331 410 405 292 405C276 405 257 397 233 386L182 362ZM237 330C305 330 354 266 354 172C354 113 339 35 277 35C224 35 169 109 169 241C169 262 171 304 176 320C196 327 214 330 237 330Z"></path></g><g transform="matrix(.0091,0,0,-0.0091,13.435,3.784)"><path d="M255 635C86 635 29 459 29 311C29 167 83 -12 254 -12S478 166 478 312C478 457 425 635 255 635ZM252 588C317 588 338 455 338 314C338 176 322 35 256 35C191 35 169 183 169 315C169 448 185 588 252 588Z"></path></g></svg> numerically evaluated with the help of the Quantum Espresso.</div>

Journal of Nanomaterials

Theoretical Study of Electronic Structure of Charged Fullerenes

Figure 13