التفاصيل البيبلوغرافية
| العنوان: |
SrZn 2 N 2 as a Solar Absorber: Theoretical Defect Chemistry and Synthesis by Metal Alloy Nitridation |
| المؤلفون: |
Ryosuke Kikuchi (580533), Koki Ueno (10536305), Toru Nakamura (9142), Takahiro Kurabuchi (10536308), Yasushi Kaneko (4437844), Yu Kumagai (1750672), Fumiyasu Oba (2891855) |
| سنة النشر: |
2021 |
| المجموعة: |
Smithsonian Institution: Digital Repository |
| مصطلحات موضوعية: |
Biophysics, Medicine, Cell Biology, Ecology, Space Science, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, NH 3 nitridation, SrZn 2 N 2, Metal Alloy Nitridation, ternary zinc nitrides CaZn 2 N 2, SrZn 2 alloy, Theoretical Defect Chemistry, SrZn 2 N 2 powder, report first-principles calculations, band gap |
| الوصف: |
The ternary zinc nitrides CaZn 2 N 2 and SrZn 2 N 2 are promising materials for solar energy conversion because their direct band gaps are tunable to optimal values, and they contain only earth-abundant elements. We report first-principles calculations with a focus on defect chemistry and propose a method of synthesis for SrZn 2 N 2 . Our calculations reveal that although the N vacancy has a relatively low formation energy among the native defects in SrZn 2 N 2 and shows deep levels within the band gap, its concentration can be sufficiently reduced by controlled crystal growth and extrinsic doping. The SrZn 2 N 2 powder was synthesized by NH 3 nitridation of the SrZn 2 alloy at 600 °C and atmospheric pressure. We experimentally determined the direct band gap of SrZn 2 N 2 to be 1.6 eV, consistent with our theoretical prediction. |
| نوع الوثيقة: |
article in journal/newspaper |
| اللغة: |
unknown |
| العلاقة: |
https://figshare.com/articles/journal_contribution/SrZn_sub_2_sub_N_sub_2_sub_as_a_Solar_Absorber_Theoretical_Defect_Chemistry_and_Synthesis_by_Metal_Alloy_Nitridation/14384327Test |
| DOI: |
10.1021/acs.chemmater.1c00075.s001 |
| الإتاحة: |
https://doi.org/10.1021/acs.chemmater.1c00075.s001Test |
| حقوق: |
CC BY-NC 4.0 |
| رقم الانضمام: |
edsbas.CFCD4115 |
| قاعدة البيانات: |
BASE |
