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مطالعه ابتدا به ساکن ویژگیهای ساختاری، الکترونی و اپتیکی نانوصفحات اکسیدروی در حضور ناخالصی کادمیوم | ||
فیزیک کاربردی ایران | ||
مقاله 2، دوره 15، شماره 1 - شماره پیاپی 40، فروردین 1404، صفحه 15-34 اصل مقاله (2.94 M) | ||
نوع مقاله: مقاله پژوهشی | ||
شناسه دیجیتال (DOI): 10.22051/ijap.2025.48700.1432 | ||
نویسنده | ||
راضیه بیرانوند* | ||
استادیار، گروه فیزیک، دانشکده علوم پایه دانشگاه آیت اله بروجردی (ره)، بروجرد، لرستان، ایران | ||
چکیده | ||
نانوصفحههای اکسید روی (ZnO) بهعنوان یکی از مواد نیمهرسانا با ویژگیهای منحصر به فرد، در سالهای کنونی توجه بسیاری را در حوزههای مختلف علمی و صنعتی به خود جلب کردهاند. این ماده به دلیل شکاف انرژی نسبتاً زیاد (حدود ۳/۳ الکترونولت) و توانایی جذب نور در ناحیه فرابنفش، در دیودهای نوری، حسگرها و سلولهای خورشیدی به صورت گستردهای مورد استفاده قرار میگیرد. در این مطالعه، طیف گستردهای از ویژگیهای ساختاری، الکترونی و اپتیکی این ماده در چارچوب نظریه تابعی چگالی (DFT) انجام شده است. نتایج نشان میدهد که حضور ناخالصی کادمیوم در نانوصفحات اکسید روی تأثیرات قابلتوجهی بر ویژگیهای ساختاری، الکترونی و اپتیکی این مواد دارد. افزودن کادمیوم به ساختار اکسید روی میتواند منجر به تغییرات قابل توجهی در شبکه بلوری و بهبود پایداری ساختاری شود. این تغییرات میتوانند به کاهش نقصهای بلوری و افزایش نسبت سطح به حجم منجر شوند، که به نوبه خود تأثیر مثبتی بر روی ویژگیهای نوری و الکترونی نانوصفحات دارد. نتایج این پژوهش نشان میدهد که ناخالصی کادمیوم میتواند موجب کاهش شکاف انرژی و افزایش میزان گشتاور مغناطیسی کل ماده شود. این تغییرات میتواند حالتهای الکترونی جدیدی در ساختار نانوصفحه ایجاد کند که به بهبود ویژگیهای نوری، از جمله جذب و گسیل نور برای کاربرد در ابزارهای فوتوولتائیک کمک میکند. | ||
کلیدواژهها | ||
نظریه تابعی چگالی؛ ویژگیهای ساختاری؛ ویژگیهای الکترواپتیکی؛ نانوصفحات اکسیدروی | ||
عنوان مقاله [English] | ||
Structural, Electronic, and Optical Properties of Zinc Oxide Nanosheets in the Presence of Cadmium Impurities | ||
نویسندگان [English] | ||
Razieh Beiranvand | ||
Assistant Professor, Department of Basic Science, ayatollah Boroujerdi University, Boroujerd, Lorestan, Iran. | ||
چکیده [English] | ||
Zinc oxide (ZnO) nanosheets, recognized as one of the semiconductor materials with unique characteristics, have garnered significant attention in various scientific and industrial fields in recent years. Due to their relatively high band gap (approximately 3.3 electron volts) and ability to absorb light in the ultraviolet region, this material is widely used in light-emitting diodes, sensors, and solar cells. This study examines a comprehensive range of structural, electronic, and optical properties of this material within the framework of density functional theory (DFT). The results indicate that the presence of cadmium impurities in zinc oxide nanosheets significantly affects the structural, electronic, and optical properties of these materials. Incorporating cadmium into the zinc oxide structure can lead to notable changes in the crystal lattice and enhance structural stability. These changes may result in a reduction of crystal defects and an increase in the surface-to-volume ratio, which in turn positively impacts the optical and electronic properties of the nanosheets. Furthermore, cadmium impurities can lead to a reduction in the band gap and an increase in the overall magnetic moment of the material. These modifications may create new electronic states within the nanosheet structure, contributing to the enhancement of optical properties, including light absorption and emission, and improving optical characteristics for applications in photovoltaic devices. | ||
کلیدواژهها [English] | ||
Density Functional Theory (DFT), Structural Properties, Electro-optical Properties, ZnO Nanosheet | ||
مراجع | ||
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