Metall atom dopingi zigzag grafen nanotasmasining bo‘shliq nuqsoni bilan transport xususiyatlariga ta’siri
Annotatsiya
Struktural defektlarga ega bo‘lgan grafen nanolentalari (GNRs) o‘zining sozlanadigan elektron va magnit xususiyatlari bilan katta qiziqish uyg‘otdi. Ushbu tadqiqotda biz birlamchi bo‘shliq defektlariga ega bo‘lgan zixzag shaklidagi GNRlarning transport xususiyatlariga o'tkazuvchi metall (Co va Fe) qo‘shishning rolini o‘rganamiz. Ushbu defektlar, ya’ni karbon atomlari yoki piridinik azot atomlari bilan tugatildigan bo‘shliqlarni o‘z ichiga olgan holda. Biz elektron transport xususiyatlari va spin-ga bog‘liq effektlarni tahlil qilish uchun zichlik funksional nazariyasidan (DFT) va muvozanatga kirmagan Grin funktsiyalarini qo‘lladik. Natijalarimiz shuni ko‘rsatadiki, metall atomlarini qo‘shish defekt turiga qarab qarama-qarshi ta’sir ko‘rsatadi: karbon bilan tugatilgan bo‘shliqlarda metall atomlari elektron holatlarning kuchaygan lokalizatsiyasi tufayli o'tkazuvchanlikni kamaytiradi, piridinik defektlarda esa ular uzatish holatlarini kengaytirib, o'tkazuvchanlikni oshiradi. Bundan tashqari, metall qo‘shish spin filtratsiyasi samaradorligini sezilarli darajada yaxshilaydi, bu esa qo‘shilgan GNRlarni spintronika ilovalari uchun istiqbolli qiladi. Ushbu natijalar, grafen asosidagi nanouskunalar uchun defektlarni muhandislik bilan ishlab chiqishning ahamiyatini ta'kidlaydi va tanlab qo‘shish strategiyalari orqali elektron transport xususiyatlarini optimallashtirish bo‘yicha tushunchalar beradi.
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