Antisolvent Engineering to Enhance Photovoltaic Performance of Methylammonium Bismuth Iodide Solar Cells.

High absorption ability and direct bandgap makes lead-based perovskite to acquire high photovoltaic performance. However, lead content in perovskite becomes a double-blade for counterbalancing photovoltaic performance and sustainability. Herein, we develop a methylammonium bismuth iodide (MBI), a perovskite-derivative, to serve as a lead-free light absorber layer. Owing to the short carrier diffusion length of MBI, its film quality is a predominant factor to photovoltaic performance. Several candidates of non-polar solvent are discussed in aspect of their dipole moment and boiling point to reveal the effects of anti-solvent assisted crystallization. Through anti-solvent engineering of toluene, the morphology, crystallinity, and element distribution of MBI films are improved compared with those without toluene treatment. The improved morphology and crystallinity of MBI films promote photovoltaic performance over 3.2 times compared with the one without toluene treatment. The photovoltaic device can achieve 0.26% with minor hysteresis effect, whose hysteresis index reduces from 0.374 to 0.169. This study guides a feasible path for developing MBI photovoltaics.

Element Code from Pseudopotential as Efficient Descriptors for a Machine Learning Model to Explore Potential Lead-Free Halide Perovskites.

The rapid development of machine learning has proven its potential in material science. To acquire an accurate and promising result, the choice of descriptor plays an essential role in dictating the model performance. In this work, we introduce a set of novel descriptors, Element Code, which is generated from pseudopotential. Using a variational autoencoder to perform unsupervised learning, the produced Element Code is verified to contain representative information on elements. Attributed to the successful extraction of information from pseudopotential, Element Code can serve as the primary descriptor for the machine learning model. We construct a model using Element Code as the sole descriptor to predict the bandgap of a lead-free double halide perovskite, and an accuracy of 0.951 and mean absolute error of 0.266 eV are achieved. We believe our work can offer insights into selecting lead-free halide perovskites and establish a paradigm of exploring new materials.

Achieving High-Performance Perovskite Photovoltaic by Morphology Engineering of Low-Temperature Processed Zn-Doped TiO2 Electron Transport Layer.

Perovskite solar cells (PSCs) have become one of the most promising renewable energy converting devices. However, in order to reach a sufficiently high power conversion efficiency (PCE), the PSCs typically require a high-temperature sintering process to prepare mesostructured TiO2 as an efficient electron transport layer (ETL), which prohibits the PSCs from commercialization in the future. This work investigates a low-temperature synthesis of TiO2 nanocrystals and introduces a two-fluid spray coating process to produce a nanostructured ETL for the following deposition of perovskite layer. The temperature during the whole deposition process can be maintained under 150 °C. Compared to the typical planar TiO2 layer, the perovskite layer fabricated on a nanostructured TiO2 layer shows uniform compactness, preferred orientation, and high crystallinity, leading to reproducible and promising device performance. The detail mechanisms are revealed by the contact angle test, morphology characterization, grazing incident wide angle X-Ray scattering measurement, and space charge limited currents analysis. Finally, optimized device performance can be achieved through adequate Zn doping in the TiO2 layer, demonstrating an average PCE of 19.87% with champion PCE of 21.36%. The efficiency can maintain over 80% of its original value after 3000 h storage in ambient atmosphere. This study suggests a promising approach to offer high-efficiency PSCs using the low-temperature process.

Stabilization of hybrid perovskite CH3NH3PbI3 thin films by graphene passivation.

We report the long-term stability of water-sensitive hybrid perovskites CH3NH3PbI3 that were protected with monolayer graphene. This successful passivation was enabled by our development of a new water-free and polymer-free graphene transfer method. Monolayer graphene samples grown by plasma-enhanced chemical vapor deposition and transferred onto different substrates with the water/polymer-free method were found to preserve their high-quality characteristics after the transfer, as manifested by the studies of Raman, X-ray and ultraviolet photoemission spectroscopy (XPS and UPS), optical absorption, and sheet resistance. Additionally, XPS, UPS and optical absorption studies of fully graphene-covered CH3NH3PbI3 thin films showed spectral invariance even after 3 months, which was in sharp contrast to the drastic spectral changes after merely one week in control CH3NH3PbI3 samples without graphene protection. This successful demonstration of the graphene-enabled passivation and long-term stability of CH3NH3PbI3 thin films therefore opens up a new pathway towards realistic photovoltaic applications of hybrid perovskites.

Nanoparticle-tuned self-organization of a bulk heterojunction hybrid solar cell with enhanced performance.

We demonstrate here that the nanostructure of poly(3-hexylthiophene) and [6,6]-phenyl-C61-butyric acid methyl ester (P3HT/PCBM) bulk heterojunction (BHJ) can be tuned by inorganic nanoparticles (INPs) for enhanced solar cell performance. The self-organized nanostructural evolution of P3HT/PCBM/INPs thin films was investigated by using simultaneous grazing-incidence small-angle X-ray scattering (GISAXS) and grazing-incidence wide-angle X-ray scattering (GIWAXS) technique. Including INPs into P3HT/PCBM leads to (1) diffusion of PCBM molecules into aggregated PCBM clusters and (2) formation of interpenetrating networks that contain INPs which interact with amorphous P3HT polymer chains that are intercalated with PCBM molecules. Both of the nanostructures provide efficient pathways for free electron transport. The distinctive INP-tuned nanostructures are thermally stable and exhibit significantly enhanced electron mobility, external quantum efficiency, and photovoltaic device performance. These gains over conventional P3HT/PCBM directly result from newly demonstrated nanostructure. This work provides an attractive strategy for manipulating the phase-separated BHJ layers and also increases insight into nanostructural evolution when INPs are incorporated into BHJs.