Atomic Structure and Energy Distribution of Collapsed Carbon Nanotubes of Different Chiralities

<div>(a) Initial structure of collapsed <svg height="13.3023pt" id="M4" style="vertical-align:-4.548961pt" version="1.1" viewbox="-0.0498162 -8.75334 53.5195 13.3023" width="53.5195pt" 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="M614 175C564 76 510 21 408 21C256 21 146 149 146 336C146 488 235 629 402 629C510 629 570 586 597 480L626 488C620 541 614 582 606 638C578 643 510 665 429 665C206 665 44 527 44 316C44 157 153 -15 402 -15C474 -15 558 5 586 11C604 45 629 119 643 165L614 175Z" id="g190-68"></path><glyph.data ascent="989" descent="-360" horiz-adv-x="665" vert-adv-y="665"></glyph.data></g><g transform="matrix(.013,0,0,-0.013,8.645,0)"><path d="M719 650H483V622C553 619 576 606 581 560C585 532 588 487 588 394V148H585L167 650H20V622C67 618 88 610 109 585C127 562 129 557 129 484V264C129 173 126 124 123 93C118 44 92 31 35 28V0H272V28C204 32 181 44 176 95C173 124 170 172 170 264V515H172L598 -9H629V394C629 487 631 532 635 563C639 606 663 619 719 622V650Z" id="g190-79"></path><glyph.data ascent="989" descent="-360" horiz-adv-x="743" vert-adv-y="743"></glyph.data></g><g transform="matrix(.013,0,0,-0.013,18.304,0)"><path d="M592 498C586 556 582 629 581 675H560C545 656 537 650 510 650H115C87 650 74 652 60 675H40C38 620 33 555 28 495H57C69 539 77 568 89 585C102 607 122 616 205 616H267V123C267 44 259 34 168 28V0H454V28C360 34 352 44 352 123V616H422C498 616 514 608 531 584C542 568 552 543 562 495L592 498Z" id="g190-85"></path><glyph.data ascent="989" descent="-360" horiz-adv-x="617" vert-adv-y="617"></glyph.data></g><g transform="matrix(.0091,0,0,-0.0091,26.424,3.001)"><path d="M309 -142C211 -61 151 99 151 271S210 601 309 683L288 710C141 611 75 451 75 272V271C75 90 141 -72 288 -169L309 -142Z" id="g50-41"></path><glyph.data ascent="3443" descent="-2856" horiz-adv-x="358" vert-adv-y="358"></glyph.data></g><g transform="matrix(.0091,0,0,-0.0091,29.682,3.001)"><path d="M158 548H390L417 615L410 623H122L83 318C105 326 143 337 185 337C296 337 350 275 350 188C350 116 308 42 225 42C164 42 122 74 100 93C90 101 82 99 72 92C60 82 51 68 50 59C48 46 52 38 66 24C82 9 125 -12 172 -12C225 -11 292 15 346 59C408 108 437 166 437 226C437 309 371 397 242 397C214 397 170 382 133 369L158 548Z" id="g50-54"></path><glyph.data ascent="3443" descent="-2856" horiz-adv-x="487" vert-adv-y="487"></glyph.data></g><g transform="matrix(.0091,0,0,-0.0091,34.113,3.001)"><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" id="g50-49"></path><glyph.data ascent="3443" descent="-2856" horiz-adv-x="487" vert-adv-y="487"></glyph.data></g><g transform="matrix(.0091,0,0,-0.0091,38.545,3.001)"><path d="M98 134C72 134 46 117 46 90C46 73 55 65 60 64C95 55 124 32 124 -4C124 -42 95 -68 44 -89L57 -123C122 -104 194 -60 194 22C194 94 136 134 98 134Z" id="g50-45"></path><glyph.data ascent="3443" descent="-2856" horiz-adv-x="237" vert-adv-y="237"></glyph.data></g><g transform="matrix(.0091,0,0,-0.0091,40.702,3.001)"><path d="M141 347C171 480 264 541 327 570C364 587 403 599 436 605L429 641C389 634 339 622 300 609C191 570 37 458 37 239C37 86 126 -12 245 -12C367 -12 454 89 454 210C454 314 380 397 272 397C252 397 230 390 208 380L141 347ZM231 338C323 338 366 257 366 174C366 108 340 27 263 27C180 27 129 123 129 244C129 268 130 292 135 310C158 323 193 338 231 338Z" id="g50-55"></path><glyph.data ascent="3443" descent="-2856" horiz-adv-x="487" vert-adv-y="487"></glyph.data></g><g transform="matrix(.0091,0,0,-0.0091,45.134,3.001)"><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" id="g50-49"></path><glyph.data ascent="3443" descent="-2856" horiz-adv-x="487" vert-adv-y="487"></glyph.data></g><g transform="matrix(.0091,0,0,-0.0091,49.565,3.001)"><path d="M283 271C283 451 220 610 70 710L48 683C146 603 207 443 207 271S149 -59 48 -142L70 -169C220 -67 283 90 283 271Z" id="g50-42"></path><glyph.data ascent="3443" descent="-2856" horiz-adv-x="358" vert-adv-y="358"></glyph.data></g></svg>. (b) Schematic of folded CNT. Bilayer graphene of width <svg height="9.49473pt" id="M5" style="vertical-align:-0.2063999pt" version="1.1" viewbox="-0.0498162 -9.28833 6.97631 9.49473" width="6.97631pt" 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="M509 90L493 118C465 91 427 70 418 70S409 77 415 103L469 327C494 429 466 451 436 451C412 451 387 444 356 427C307 400 222 342 160 264H158L246 667C253 701 252 710 243 710C228 710 169 680 87 673L83 644H117C155 644 160 640 149 588L24 -4L32 -12C57 -4 86 4 108 9L143 187C198 275 324 386 375 386C394 386 399 367 385 311L331 87C315 22 322 -12 351 -12C387 -12 452 24 509 90Z" id="g50-105"></path><glyph.data ascent="3443" descent="-2856" horiz-adv-x="527" vert-adv-y="527"></glyph.data></g></svg> is the region I and the two round edges constitute the region II.</div>

Journal of Nanomaterials

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Figure 1

Figure 1: Atomic Structure and Energy Distribution of Collapsed Carbon Nanotubes of Different Chiralities 