Design of Pd-Based Bimetallic Catalysts for ORR: A DFT Calculation Study

<div>The relationship between the calculated formation energies of Pd<sub>3</sub>M alloys, <svg height="14.1238pt" id="M55" style="vertical-align:-5.487901pt" version="1.1" viewbox="-0.0498162 -8.6359 34.9015 14.1238" width="34.9015pt" 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="M600 0V24L339 665L311 657L43 24V0H600ZM497 50H107L303 539L497 50Z" id="g113-133"></path><glyph.data ascent="3473" descent="-2876" horiz-adv-x="641" vert-adv-y="641"></glyph.data></g><g transform="matrix(.013,0,0,-0.013,8.327,0)"><path d="M593 650H142L136 622C219 616 224 611 209 531L130 120C114 39 108 34 23 28L17 0H501C518 32 557 130 568 158L540 169C519 132 495 93 469 70C439 43 409 35 332 35C272 35 241 37 225 50C211 61 211 89 222 149L253 320H350C441 320 443 312 441 239H471L510 434H481C455 366 448 358 360 358H260L303 572C311 613 312 615 348 615H431C509 615 522 603 532 581C544 555 546 531 545 491L574 493C583 555 592 631 593 650Z" id="g113-70"></path><glyph.data ascent="3473" descent="-2876" horiz-adv-x="616" vert-adv-y="616"></glyph.data></g><g transform="matrix(.0091,0,0,-0.0091,16.27,3.132)"><path d="M442 39L431 68C420 63 406 57 394 57C377 57 359 71 359 118V301C359 353 349 393 314 424C291 443 261 451 230 451C171 438 107 401 79 381C59 366 46 355 46 340C46 316 72 295 91 295C106 295 117 303 122 319C131 350 139 371 152 384C163 397 178 404 197 404C246 404 281 365 281 293V278C260 262 186 232 124 213C69 194 41 161 41 112C41 47 92 -12 163 -12C195 -12 243 25 283 51C288 35 293 22 308 7C319 -4 339 -12 354 -12L442 39ZM281 87C262 68 226 51 199 51C169 51 129 74 129 126C129 162 151 181 190 198C211 208 259 229 281 240V87Z" id="g58-95"></path><glyph.data ascent="1007" descent="-369" horiz-adv-x="449" vert-adv-y="449"></glyph.data></g><g transform="matrix(.0091,0,0,-0.0091,20.392,3.132)"><path d="M244 0V30C178 35 170 41 170 107V710C136 697 72 680 18 675V647C83 642 89 639 89 572V107C89 43 80 35 16 30V0H244Z" id="g58-106"></path><glyph.data ascent="1007" descent="-369" horiz-adv-x="260" vert-adv-y="260"></glyph.data></g><g transform="matrix(.0091,0,0,-0.0091,22.804,3.132)"><path d="M244 0V30C178 35 170 41 170 107V710C136 697 72 680 18 675V647C83 642 89 639 89 572V107C89 43 80 35 16 30V0H244Z" id="g58-106"></path><glyph.data ascent="1007" descent="-369" horiz-adv-x="260" vert-adv-y="260"></glyph.data></g><g transform="matrix(.0091,0,0,-0.0091,25.17,3.132)"><path d="M262 451C169 451 38 375 38 210C38 98 121 -12 261 -12C360 -12 481 64 481 227C481 351 386 451 262 451ZM249 414C337 414 385 320 385 204C385 70 333 25 272 25C189 25 134 117 134 241C134 355 189 414 249 414Z" id="g58-109"></path><glyph.data ascent="1007" descent="-369" horiz-adv-x="519" vert-adv-y="519"></glyph.data></g><g transform="matrix(.0091,0,0,-0.0091,29.728,3.132)"><path d="M488 439H302V409C359 401 366 390 354 354C333 287 289 177 262 107L171 356C158 391 163 402 210 409L209 439H3V409C59 401 68 388 90 336C119 267 164 144 204 31C211 16 211 0 206 -15C202 -27 195 -48 176 -81C153 -124 134 -146 102 -166C85 -177 77 -187 77 -203C77 -228 107 -253 136 -253C151 -253 164 -248 169 -228C185 -175 203 -120 273 41C342 204 375 284 399 337C425 392 435 401 488 409V439Z" id="g58-119"></path><glyph.data ascent="1007" descent="-369" horiz-adv-x="470" vert-adv-y="470"></glyph.data></g></svg>, and number of valence electrons.</div>

Journal of Chemistry

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Figure 1

Figure 1: Design of Pd-Based Bimetallic Catalysts for ORR: A DFT Calculation Study 