CH 3 NH 2 BiI 3 Perovskites: A New Route to Efficient Lead-Free Solar Cells

Yin

et al. 2019

Adv Elect Materials

detecting abilities over a wide spectral range from ultraviolet to infrared and even terahertz. [8][9][10][11][12] In the past, the investigations on 2DLMs devices (including photodetectors) focused mainly on the nanoscale samples, such as the devices processed on exfoliated monolayers, nanosheets, or nanoplates, for fundamental researches. While recently, driven by the growing demands for practically using of those promising devices, great efforts have been made to prepare large-scale continuous 2DLMs films. [13][14][15] For instance, both chemical vapor deposition and solution-processing methods were used to produce waferscale graphene and TMDs films, [15][16][17] and some novel liquid metal facilitated synthesis approaches were also applied to synthesize large-scale films of 2D metal oxides and their derivatives. [18][19][20][21] Some of those films have been demonstrated beneficial to support the large-area arrays or the integrated devices which require high sample density, good thickness uniformity, and controllable location. [13][14][15][16][17][18][19] Unfortunately, there always remains a trade-off between the film size and the performances of the devices on them. In the aspect of photodetectors, most of the devices built on large-scale films have attenuated qualities comparing with those ones produced on nanoscale samples. [22][23][24] For example, the responsivity of the MoS 2 film photodetectors may decay of two orders of magnitude than that of the nanoscale devices . [8,23] Thus, it still remains a challenge to grow 2DLMs films which guarantee not only large lateral size but also excellent device performances. In view of this, we propose a possible scheme that assembling high-quality nanolayers (which can ensure outstanding photodetecting capability for the nanoscale detectors processed on them) into a nanostructured film may bring out a win-win result between both sides. This idea is implemented by synthesizing large-area films (1 × 1 cm 2 ) made up of vertically grown BiI 3 nanoplates which have been proved to support excellent nanoscale photodetectors. [12] The reproducible and sizeable photoresponses of the photodetectors fabricated on such films demonstrate equivalent performances with the single BiI 3 nanoplate-based ones and indicate hopeful applications of such BiI 3 films for visible-light detecting.As shown in the scanning electron microscopy (SEM) image in Figure 1a, the BiI 3 films used to construct the photodetecting devices consist of a large number of vertical and oblique nanoplates grown via physical vapor deposition (PVD) method. An enlarged SEM image (Figure 1b) revealsThe growth of large-scale films forms the cornerstone for future integrated photodetection applications of 2D materials. However, there is still an unwelcome trade-off between the size of these films and the performances of devices fabricated using them. To deal with this issue, a possible scheme for film assembly is proposed using high-quality nanolayers to achieve both outstanding device performance and large film ar...

mentioning

confidence: 99%

High‐Performance Visible‐Light Photodetectors built on 2D‐Nanoplate‐Assembled Large‐Scale BiI₃ Films

Wei

Yin

et al. 2019

Adv Elect Materials

“…USPEX would continue screening the structures until the most stable conguration remained unchanged for a further 20 generations to safeguard the global equilibrium. 34 The energy (enthalpy) of formation of each Na a S b O c I d Cl e compound was dened with respect to the chemical potentials of the constituent phases as…”

Section: Methodsmentioning

confidence: 99%

“…Here in this work, we have carried out systematic modelling on the basis of a materials genome approach in the framework of density functional theory (DFT). 7,16,18,[33][34][35] On the basis of a high throughput simulation, we have identied effective routes for remarkable enhancement of ionic conductivity, based on Na 4 AX 2 (A ¼ chalcogen and X ¼ halogen). This covers the effects of smaller halogen anions on the X sites, substitution of O À2 with chalcogen species with weaker electronegativities on the A sites, and co-alloying on both the A and X sites.…”

Section: Introductionmentioning

confidence: 99%

Theoretical tuning of Ruddlesden–Popper type anti-perovskite phases as superb ion conductors and cathodes for solid sodium ion batteries

Shao

2019

J. Mater. Chem. A

Self Cite

“…The ionic conductivity is determined by diffusion of the alkali ions, usually following an Arrhenius relationship,

D = {boldD}_{0} bolde boldx boldp (- \frac{{boldE}_{bolda}}{k_{B} boldT})

, with

D_{0}

being a constant,

E_{a}

the activation energy, and k B the Boltzmann constant. Both ab initio molecular dynamics (AIMD) [74–77] and the climb image nudged elastic band (CI‐NEB) [71–73] have been employed to characterize the diffusion characteristics of alkali ions. It is also necessary to carry out AIMD at elevated temperature for dependable AIMD simulation, as the steady state cannot be reached otherwise within the tractable duration for DFT calculation [9,58] …”

Section: Dft‐based Materials Formulation Approachmentioning

confidence: 99%

Transport of Sodium Ions in Solids: Progress in First‐Principle Theoretical Formulation of Potential Solid Sodium‐Ion Electrolytes

et al. 2021

Batteries & Supercaps

Self Cite

All‐solid‐state sodium ion batteries (ASSIBs) have attracted great attention due to ever‐increasing safety concern about current lithium ion batteries and the limited natural reserves of lithium. A major materials basis to enable high‐performance ASSIBs lies in delivering ultra‐fast Na+ conductors, which is yet even more challenging than developing solid electrolytes for the lithium‐ion batteries. This is largely attributed to limited fundamental understanding of the transportation characteristics of sodium ions, which is rather different from the smaller alkali lithium ions. Here, we have carried out a perspective review of recent advances in theoretical formulation of novel solid electrolytes, focusing on methods, achievements, and the potential and shortcomings of identified materials systems. Efforts are made in offering a dependable framework to formulate fundamentally competitive materials to support developing “better” solid sodium‐ion batteries.