,Surface stabilized cubic phase of CsPbI3 and CsPbBr3 at room temperature

来源 :中国物理B(英文版) | 被引量 : 0次 | 上传用户:leninho
下载到本地 , 更方便阅读
声明 : 本文档内容版权归属内容提供方 , 如果您对本文有版权争议 , 可与客服联系进行内容授权或下架
论文部分内容阅读
Inorganic halide perovskites CsPbX3 (X=I, Br) have attracted tremendous attention in solar cell applications. How-ever, the bulk form of the cubic phase CsPbX3, which offers moderate direct bandgaps, is metastable at room temperature and tends to transform into a tetragonal or orthorhombic phase. Here, our density functional theory calculation results found that the surface energies of the cubic phase are smaller than those of the orthorhombic phase, although the bulk counterpart of the cubic phase is less stable than that of the orthorhombic phase. These results suggest a surface stabilization strategy to maintain the stability of the cubic phase at room temperature that an enlarged portion of surfaces shall change the relative stability of the two phases in nanostructured CsPbX3. This strategy, which may potentially solve the long-standing stability issue of cubic CsPbX3, was demonstrated to be feasible by our calculations in zero-, one-, and two-dimensional nanos-tructures. In particular, confined sizes from few to tens of nanometers could keep the cubic phase as the most thermally favored form at room temperature. Our predicted values in particular cases, such as the zero-dimensional form of CsPbI3, are highly consistent with experimental values, suggesting that our model is reasonable and our results are reliable. These predicted critical sizes give the upper and lower limits of the confined sizes, which may guide experimentalists to synthe-size these nanostructures and promote likely practical applications such as solar cells and fl exible displays using CsPbX3 nanostructures.
其他文献
In the extreme conditions of high altitude, low temperature, low pressure, and high speed, the aircraft engine is prone to flameout and difficult to start secon
Fiber-based mid-infrared (MIR) supercontinuum (SC) sources benefit from their spectral brightness and spatial coherence that are needed for many applications,su
如何转变原有的单一的、被动的学习方式,初中生物教师要充分激发学生探究学习的兴趣,想方设法创设课堂探究情境,使学生积极探究、愉快学习.
A miniature quad-channel optically pumped atomic magnetometer (OPM) has been developed based on the spinexchange relaxation-free (SERF) mechanism.With a vapor c
植物在生长发育过程中经常受到环境因素的胁迫,严重影响植物的正常生长和发育过程。当植物遇到高温、干旱等逆境时,植物体内会产生大量的活性氧。而抗坏血酸过氧化物酶(APX)是
We report a broadband terahertz time-domain spectroscopy (THz-TDS) which enables twenty vibrational modes of adenosine nucleoside to be resolved in a wide frequ
中国古典诗歌是华夏文化遗产中的瑰宝.它以其深邃的意境、生动的形象、凝练的语言、丰富的内涵和独特的表现手法,在中国文坛上独树一帜.故而,古诗词当之无愧成为小学生接触古
葡萄白粉病[Uncinula necator(Schw.)Burr.]是一种世界性真菌病害,给葡萄生产造成很大损失,培育抗病品种是控制葡萄白粉病的经济有效的途径。中国野生葡萄不仅具有抗病性,而
The recent discovery of superconductivity in the twisted bilayer graphene has stimulated numerous theoretical pro-posals conceing its exact gap symmetry. Among
We present a new charge trapping memory (CTM) device with the Au/Ga2O3/SiO2/Si structure,which is fabricated by using the magnetron sputtering,high-temperature