Structural Stability of Functionalized Silicene Nanoribbons with Normal, Reconstructed, and Hybrid Edges

<div>Various edge functionalized SiNRs along <svg height="13.7616pt" id="M43" style="vertical-align:-2.150599pt" version="1.1" viewbox="-0.0498162 -11.611 38.1106 13.7616" width="38.1106pt" 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="M360 -163L167 270L360 703H298L106 273V267L298 -163H360Z" id="g113-61"></path><glyph.data ascent="3473" descent="-2876" horiz-adv-x="413" vert-adv-y="413"></glyph.data></g><g transform="matrix(.013,0,0,-0.013,5.369,0)"><path d="M412 140C382 77 369 73 315 73H129L270 222C362 320 402 379 402 466C402 571 322 635 234 635C177 635 130 609 99 576L42 495L64 475C90 514 133 568 201 568C274 568 318 519 318 435C318 349 255 267 193 193C144 135 87 78 32 23V0H405C417 45 427 89 440 131L412 140Z" id="g113-51"></path><glyph.data ascent="3473" descent="-2876" horiz-adv-x="480" vert-adv-y="480"></glyph.data></g><rect height="0.65243" width="6.26339" x="11.609" y="-10.9087"></rect><g transform="matrix(.013,0,0,-0.013,11.609,0)"><path d="M384 0V27C293 34 287 42 287 114V635C232 613 172 594 109 583V559L157 557C201 555 205 550 205 499V114C205 42 199 34 109 27V0H384Z" id="g113-50"></path><glyph.data ascent="3473" descent="-2876" horiz-adv-x="480" vert-adv-y="480"></glyph.data></g><rect height="0.65243" width="6.26339" x="20.0515" y="-10.9087"></rect><g transform="matrix(.013,0,0,-0.013,20.052,0)"><path d="M384 0V27C293 34 287 42 287 114V635C232 613 172 594 109 583V559L157 557C201 555 205 550 205 499V114C205 42 199 34 109 27V0H384Z" id="g113-50"></path><glyph.data ascent="3473" descent="-2876" horiz-adv-x="480" vert-adv-y="480"></glyph.data></g><g transform="matrix(.013,0,0,-0.013,26.315,0)"><path d="M241 635C89 635 35 457 35 312C35 153 89 -12 240 -12C390 -12 443 166 443 312C443 466 390 635 241 635ZM238 602C329 602 354 454 354 312C354 172 330 22 240 22C152 22 124 173 124 313S148 602 238 602Z" id="g113-49"></path><glyph.data ascent="3473" descent="-2876" horiz-adv-x="480" vert-adv-y="480"></glyph.data></g><g transform="matrix(.013,0,0,-0.013,32.555,0)"><path d="M307 267V273L115 703H53L246 270L53 -163H115L307 267Z" id="g113-63"></path><glyph.data ascent="3473" descent="-2876" horiz-adv-x="413" vert-adv-y="413"></glyph.data></g></svg> direction. The cyan and red balls represent Si and functional addends (H or F), respectively. The dashed boxes show the primitive supercells.</div>

Journal of Nanomaterials

fig4

Figure 4

Figure 4: Structural Stability of Functionalized Silicene Nanoribbons with Normal, Reconstructed, and Hybrid Edges 