@article{ghasemi_guo_darabi_wang_wang_huang_lefler_taussig_chauhan_baucom_et al._2023, title={A multiscale ion diffusion framework sheds light on the diffusion-stability-hysteresis nexus in metal halide perovskites}, ISSN={["1476-4660"]}, DOI={10.1038/s41563-023-01488-2}, abstractNote={Stability and current-voltage hysteresis stand as major obstacles to the commercialization of metal halide perovskites. Both phenomena have been associated with ion migration, with anecdotal evidence that stable devices yield low hysteresis. However, the underlying mechanisms of the complex stability-hysteresis link remain elusive. Here we present a multiscale diffusion framework that describes vacancy-mediated halide diffusion in polycrystalline metal halide perovskites, differentiating fast grain boundary diffusivity from volume diffusivity that is two to four orders of magnitude slower. Our results reveal an inverse relationship between the activation energies of grain boundary and volume diffusions, such that stable metal halide perovskites exhibiting smaller volume diffusivities are associated with larger grain boundary diffusivities and reduced hysteresis. The elucidation of multiscale halide diffusion in metal halide perovskites reveals complex inner couplings between ion migration in the volume of grains versus grain boundaries, which in turn can predict the stability and hysteresis of metal halide perovskites, providing a clearer path to addressing the outstanding challenges of the field.}, journal={NATURE MATERIALS}, author={Ghasemi, Masoud and Guo, Boyu and Darabi, Kasra and Wang, Tonghui and Wang, Kai and Huang, Chiung-Wei and Lefler, Benjamin M. and Taussig, Laine and Chauhan, Mihirsinh and Baucom, Garrett and et al.}, year={2023}, month={Feb} }
 @article{park_wei_xu_atapattu_eickemeyer_darabi_grater_yang_liu_teale_et al._2023, title={Engineering ligand reactivity enables high-temperature operation of stable perovskite solar cells}, volume={381}, ISSN={["1095-9203"]}, DOI={10.1126/science.adi4107}, abstractNote={
            Perovskite solar cells (PSCs) consisting of interfacial two- and three-dimensional heterostructures that incorporate ammonium ligand intercalation have enabled rapid progress toward the goal of uniting performance with stability. However, as the field continues to seek ever-higher durability, additional tools that avoid progressive ligand intercalation are needed to minimize degradation at high temperatures. We used ammonium ligands that are nonreactive with the bulk of perovskites and investigated a library that varies ligand molecular structure systematically. We found that fluorinated aniliniums offer interfacial passivation and simultaneously minimize reactivity with perovskites. Using this approach, we report a certified quasi–steady-state power-conversion efficiency of 24.09% for inverted-structure PSCs. In an encapsulated device operating at 85°C and 50% relative humidity, we document a 1560-hour
            T
            85
            at maximum power point under 1-sun illumination.
          }, number={6654}, journal={SCIENCE}, author={Park, So Min and Wei, Mingyang and Xu, Jian and Atapattu, Harindi R. and Eickemeyer, Felix T. and Darabi, Kasra and Grater, Luke and Yang, Yi and Liu, Cheng and Teale, Sam and et al.}, year={2023}, month={Jul}, pages={209–215} }
 @article{comstock_chou_wang_wang_song_sklenar_amassian_zhang_lu_liu_et al._2023, title={Hybrid magnonics in hybrid perovskite antiferromagnets}, volume={14}, ISSN={["2041-1723"]}, url={https://doi.org/10.1038/s41467-023-37505-w}, DOI={10.1038/s41467-023-37505-w}, abstractNote={Abstract}, number={1}, journal={NATURE COMMUNICATIONS}, author={Comstock, Andrew H. and Chou, Chung-Tao and Wang, Zhiyu and Wang, Tonghui and Song, Ruyi and Sklenar, Joseph and Amassian, Aram and Zhang, Wei and Lu, Haipeng and Liu, Luqiao and et al.}, year={2023}, month={Apr} }
 @article{li_huang_mencke_kandappa_wang_ding_jiang_amassian_liao_thompson_et al._2023, title={Interactions between nonfullerene acceptors lead to unstable ternary organic photovoltaic cells}, volume={120}, ISSN={["1091-6490"]}, DOI={10.1073/pnas.2301118120}, abstractNote={For organic photovoltaic (OPV) devices to achieve consistent performance and long operational lifetimes, organic semiconductors must be processed with precise control over their purity, composition, and structure. This is particularly important for high volume solar cell manufacturing where control of materials quality has a direct impact on yield and cost. Ternary-blend OPVs containing two acceptor–donor–acceptor (A–D–A)-type nonfullerene acceptors (NFAs) and a donor have proven to be an effective strategy to improve solar spectral coverage and reduce energy losses beyond that of binary-blend OPVs. Here, we show that the purity of such a ternary is compromised during blending to form a homogeneously mixed bulk heterojunction thin film. We find that the impurities originate from end-capping C=C/C=C exchange reactions of A–D–A-type NFAs, and that their presence influences both device reproducibility and long-term reliability. The end-capping exchange results in generation of up to four impurity constituents with strong dipolar character that interfere with the photoinduced charge transfer process, leading to reduced charge generation efficiency, morphological instabilities, and an increased vulnerability to photodegradation. As a consequence, the OPV efficiency falls to less than 65% of its initial value within 265 h when exposed to up to 10 suns intensity illumination. We propose potential molecular design strategies critical to enhancing the reproducibility as well as reliability of ternary OPVs by avoiding end-capping reactions.}, number={23}, journal={PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA}, author={Li, Yongxi and Huang, Xinjing and Mencke, Austin R. and Kandappa, Sunil Kumar and Wang, Tonghui and Ding, Kan and Jiang, Zuo-Quan and Amassian, Aram and Liao, Liang-Sheng and Thompson, Mark E. and et al.}, year={2023}, month={Jun} }
 @article{wang_li_ardekani_serrano-lujan_wang_ramezani_wilmington_chauhan_epps_darabi_et al._2023, title={Sustainable materials acceleration platform reveals stable and efficient wide-bandgap metal halide perovskite alloys}, volume={6}, ISSN={["2590-2385"]}, DOI={10.1016/j.matt.2023.06.040}, abstractNote={The vast chemical space of emerging semiconductors, like metal halide perovskites, and their varied requirements for semiconductor applications have rendered trial-and-error environmentally unsustainable. In this work, we demonstrate RoboMapper, a materials acceleration platform (MAP), that achieves 10-fold research acceleration by formulating and palletizing semiconductors on a chip, thereby allowing high-throughput (HT) measurements to generate quantitative structure-property relationships (QSPRs) considerably more efficiently and sustainably. We leverage the RoboMapper to construct QSPR maps for the mixed ion FA1−yCsyPb(I1−xBrx)3 halide perovskite in terms of structure, bandgap, and photostability with respect to its composition. We identify wide-bandgap alloys suitable for perovskite-Si hybrid tandem solar cells exhibiting a pure cubic perovskite phase with favorable defect chemistry while achieving superior stability at the target bandgap of ∼1.7 eV. RoboMapper’s palletization strategy reduces environmental impacts of data generation in materials research by more than an order of magnitude, paving the way for sustainable data-driven materials research.}, number={9}, journal={MATTER}, author={Wang, Tonghui and Li, Ruipeng and Ardekani, Hossein and Serrano-Lujan, Lucia and Wang, Jiantao and Ramezani, Mahdi and Wilmington, Ryan and Chauhan, Mihirsinh and Epps, Robert W. and Darabi, Kasra and et al.}, year={2023}, month={Sep}, pages={2963–2986} }
 @article{corzo_wang_gedda_yengel_khan_li_niazi_huang_kim_baran_et al._2022, title={A Universal Cosolvent Evaporation Strategy Enables Direct Printing of Perovskite Single Crystals for Optoelectronic Device Applications}, volume={34}, ISSN={0935-9648 1521-4095}, url={http://dx.doi.org/10.1002/adma.202109862}, DOI={10.1002/adma.202109862}, abstractNote={Abstract}, number={9}, journal={Advanced Materials}, publisher={Wiley}, author={Corzo, Daniel and Wang, Tonghui and Gedda, Murali and Yengel, Emre and Khan, Jafar I and Li, Ruipeng and Niazi, Muhammad Rizwan and Huang, Zhengjie and Kim, Taesoo and Baran, Derya and et al.}, year={2022}, month={Jan}, pages={2109862} }
 @article{huang_vardeny_wang_ahmad_chanana_vetter_yang_liu_galli_amassian_et al._2021, title={Observation of spatially resolved Rashba states on the surface of CH<sub>3</sub>NH<sub>3</sub>PbBr<sub>3</sub> single crystals}, volume={8}, ISSN={1931-9401}, url={http://dx.doi.org/10.1063/5.0053884}, DOI={10.1063/5.0053884}, abstractNote={Hybrid organic-inorganic perovskites (HOIPs) are prime candidates for studying Rashba effects due to the heavy metal and halogen atoms in their crystal structure coupled with predicted inversion symmetry breaking. Nevertheless, observation of the Rashba effect in cubic CH3NH3PbBr3 single crystals that possess bulk inversion symmetry is the subject of extensive debate due to the lack of conclusive experiments and theoretical explanations. Here, we provide experimental evidence that Rashba state in cubic CH3NH3PbBr3 single crystals at room temperature occurs exclusively on the crystal surface and depends on specific surface termination that results in local symmetry breaking. We demonstrate this using a suite of spatially resolved and depth-sensitive techniques, including circular photogalvanic effect, inverse spin Hall effect, and multiphoton microscopy, that are supported by first principle calculations. Our work suggests using surface Rashba states in these materials for spintronic applications.}, number={3}, journal={Applied Physics Reviews}, publisher={AIP Publishing}, author={Huang, Zhengjie and Vardeny, Shai R. and Wang, Tonghui and Ahmad, Zeeshan and Chanana, Ashish and Vetter, Eric and Yang, Shijia and Liu, Xiaojie and Galli, Giulia and Amassian, Aram and et al.}, year={2021}, month={Sep}, pages={031408} }
 @article{li_zhang_lu_yan_wang_li_wang_yu_mu_2018, title={A new polyoxovanadate-based metal-organic framework: synthesis, structure and photo-/electro-catalytic properties}, volume={42}, ISSN={["1369-9261"]}, DOI={10.1039/c7nj05032a}, abstractNote={A new polyoxovanadate-based metal–organic framework has been synthesized, which exhibits high-performance bifunctional photo-/electro-catalytic properties.}, number={9}, journal={NEW JOURNAL OF CHEMISTRY}, author={Li, Shaobin and Zhang, Li and Lu, Borong and Yan, Eryun and Wang, Tonghui and Li, Li and Wang, Jianxin and Yu, Yan and Mu, Qingdi}, year={2018}, month={May}, pages={7247–7253} }