ACS Materials AuPub Date : 2024-10-31eCollection Date: 2024-11-13DOI: 10.1021/acsmaterialsau.4c00103
Priscila Alessio, Milene K C da Silva, Vitoria Barossi, Celina M Miyazaki
{"title":"Nanostructured Thin Films Enhancing the Performance of New Organic Electronic Devices: Does It Make Sense?","authors":"Priscila Alessio, Milene K C da Silva, Vitoria Barossi, Celina M Miyazaki","doi":"10.1021/acsmaterialsau.4c00103","DOIUrl":"10.1021/acsmaterialsau.4c00103","url":null,"abstract":"<p><p>Electronics have evolved significantly with the development of semiconductor materials and devices, with emerging areas such as organic and flexible electronics showing great promise, particularly in applications such as wearable devices and environmental sensors. Since the discovery of conducting polymers in the late 1970s, organic electronics have paved the way for innovations such as organic field-effect transistors (OFETs), organic light-emitting diodes (OLEDs), and organic solar cells (OPVs). Recent advances have focused on nanostructuring techniques to enhance device properties, such as charge mobility and luminescence efficiency. The growing concern for sustainability has also led to the exploration of biodegradable organic electronics as a potential solution to electronic waste. This perspective briefly discusses the impact of nanostructuring on the performance of both conventional and biodegradable organic devices, exploring the challenges and opportunities associated with using alternative substrates like paper. This perspective emphasizes the importance of understanding molecular organization at the nanoscale to optimize device performance and ensure stability under practical conditions.</p>","PeriodicalId":29798,"journal":{"name":"ACS Materials Au","volume":"4 6","pages":"574-581"},"PeriodicalIF":5.7,"publicationDate":"2024-10-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11565282/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142649105","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
ACS Materials AuPub Date : 2024-10-30DOI: 10.1021/acsmaterialsau.4c0009010.1021/acsmaterialsau.4c00090
Hanna Z. Porter, Emily E. Foley, Wen Jin, Eric Chen, Erick A. Lawrence, Euan N. Bassey and Raphaële J. Clément*,
{"title":"Impact of Mg Substitution on the Structure, Stability, and Properties of the Na2Fe2F7 Weberite Cathode","authors":"Hanna Z. Porter, Emily E. Foley, Wen Jin, Eric Chen, Erick A. Lawrence, Euan N. Bassey and Raphaële J. Clément*, ","doi":"10.1021/acsmaterialsau.4c0009010.1021/acsmaterialsau.4c00090","DOIUrl":"https://doi.org/10.1021/acsmaterialsau.4c00090https://doi.org/10.1021/acsmaterialsau.4c00090","url":null,"abstract":"<p >Of the few weberite-type Na-ion cathodes explored to date, Na<sub>2</sub>Fe<sub>2</sub>F<sub>7</sub> exhibits the best performance, with capacities up to 184 mAh/g and energy densities up to 550 Wh/kg reported for this material. However, the development of robust structure–property relationships for this material is complicated by its tendency to form as a mixture of metastable polymorphs, and transform to a lower-energy Na<i><sub>y</sub></i>FeF<sub>3</sub> perovskite compound during electrochemical cycling. Our first-principles-guided exploration of Fe-based weberite solid solutions with redox-inactive Mg<sup>2+</sup> and Al<sup>3+</sup> predicts an enhanced thermodynamic stability of Na<sub>2</sub>Mg<i><sub>x</sub></i>Fe<sub>2–<i>x</i></sub> F<sub>7</sub> as the Mg content is increased, and the <i>x</i> = 0.125 composition is selected for further exploration. We demonstrate that the monoclinic polymorph (space group <i>C</i>2/c) of Na<sub>2</sub>Fe<sub>2</sub>F<sub>7</sub> (Mg0) and of a new Mg-substituted weberite composition, Na<sub>2</sub>Mg<sub>0.125</sub>Fe<sub>1.875</sub>F<sub>7</sub> (Mg0.125), can be isolated using an optimized synthesis protocol. The impact of Mg substitution on the stability of the weberite phase during electrochemical cycling, and on the extent and rate of Na (de)intercalation, is examined. Irrespective of the Mg content, we find that the weberite phase is retained when cycling over a narrow voltage window (2.8–4.0 V vs Na/Na<sup>+</sup>). Over a wider voltage range (1.9–4.0 V), Mg0 shows steady capacity fade due to its transformation to the Na<i><sub>y</sub></i>FeF<sub>3</sub> perovskite phase, while Mg0.125 displays more reversible cycling and a reduced phase transformation. Yet, Mg incorporation also leads to kinetically limited Na extraction and a reduced overall capacity. These findings highlight the need for the continued compositional optimization of weberite cathodes to improve their structural stability while maximizing their energy density.</p>","PeriodicalId":29798,"journal":{"name":"ACS Materials Au","volume":"5 1","pages":"170–181 170–181"},"PeriodicalIF":5.7,"publicationDate":"2024-10-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/epdf/10.1021/acsmaterialsau.4c00090","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143091634","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
ACS Materials AuPub Date : 2024-10-30eCollection Date: 2025-01-08DOI: 10.1021/acsmaterialsau.4c00090
Hanna Z Porter, Emily E Foley, Wen Jin, Eric Chen, Erick A Lawrence, Euan N Bassey, Raphaële J Clément
{"title":"Impact of Mg Substitution on the Structure, Stability, and Properties of the Na<sub>2</sub>Fe<sub>2</sub>F<sub>7</sub> Weberite Cathode.","authors":"Hanna Z Porter, Emily E Foley, Wen Jin, Eric Chen, Erick A Lawrence, Euan N Bassey, Raphaële J Clément","doi":"10.1021/acsmaterialsau.4c00090","DOIUrl":"10.1021/acsmaterialsau.4c00090","url":null,"abstract":"<p><p>Of the few weberite-type Na-ion cathodes explored to date, Na<sub>2</sub>Fe<sub>2</sub>F<sub>7</sub> exhibits the best performance, with capacities up to 184 mAh/g and energy densities up to 550 Wh/kg reported for this material. However, the development of robust structure-property relationships for this material is complicated by its tendency to form as a mixture of metastable polymorphs, and transform to a lower-energy Na <i><sub>y</sub></i> FeF<sub>3</sub> perovskite compound during electrochemical cycling. Our first-principles-guided exploration of Fe-based weberite solid solutions with redox-inactive Mg<sup>2+</sup> and Al<sup>3+</sup> predicts an enhanced thermodynamic stability of Na<sub>2</sub>Mg <i><sub>x</sub></i> Fe<sub>2-<i>x</i></sub> F<sub>7</sub> as the Mg content is increased, and the <i>x</i> = 0.125 composition is selected for further exploration. We demonstrate that the monoclinic polymorph (space group <i>C</i>2/c) of Na<sub>2</sub>Fe<sub>2</sub>F<sub>7</sub> (Mg0) and of a new Mg-substituted weberite composition, Na<sub>2</sub>Mg<sub>0.125</sub>Fe<sub>1.875</sub>F<sub>7</sub> (Mg0.125), can be isolated using an optimized synthesis protocol. The impact of Mg substitution on the stability of the weberite phase during electrochemical cycling, and on the extent and rate of Na (de)intercalation, is examined. Irrespective of the Mg content, we find that the weberite phase is retained when cycling over a narrow voltage window (2.8-4.0 V vs Na/Na<sup>+</sup>). Over a wider voltage range (1.9-4.0 V), Mg0 shows steady capacity fade due to its transformation to the Na <i><sub>y</sub></i> FeF<sub>3</sub> perovskite phase, while Mg0.125 displays more reversible cycling and a reduced phase transformation. Yet, Mg incorporation also leads to kinetically limited Na extraction and a reduced overall capacity. These findings highlight the need for the continued compositional optimization of weberite cathodes to improve their structural stability while maximizing their energy density.</p>","PeriodicalId":29798,"journal":{"name":"ACS Materials Au","volume":"5 1","pages":"170-181"},"PeriodicalIF":5.7,"publicationDate":"2024-10-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11718529/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142972292","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
ACS Materials AuPub Date : 2024-10-29DOI: 10.1021/acsmaterialsau.4c0006410.1021/acsmaterialsau.4c00064
Hila Shinar, and , Tali Ilovitsh*,
{"title":"Volumetric Passive Acoustic Mapping and Cavitation Detection of Nanobubbles under Low-Frequency Insonation","authors":"Hila Shinar, and , Tali Ilovitsh*, ","doi":"10.1021/acsmaterialsau.4c0006410.1021/acsmaterialsau.4c00064","DOIUrl":"https://doi.org/10.1021/acsmaterialsau.4c00064https://doi.org/10.1021/acsmaterialsau.4c00064","url":null,"abstract":"<p >Gas bubbles, commonly used in medical ultrasound (US), witness advancements with nanobubbles (NB), providing improved capabilities over microbubbles (MB). NBs offer enhanced penetration into capillaries and the ability to extravasate into tumors following systemic injection, alongside prolonged circulation and persistent acoustic contrast. Low-frequency insonation (<1 MHz) with NBs holds great potential in inducing significant bioeffects, making the monitoring of their acoustic response critical to achieving therapeutic goals. We introduce a US-guided focused US system comprising a one-dimensional (1D) motorized rotating imaging transducer positioned within a low-frequency therapeutic transducer (center frequencies of 105 and 200 kHz), facilitating precise monitoring of NB cavitation activity in three-dimensional (3D) and comparison with MBs. Passive cavitation detection (PCD) revealed frequency-dependent responses, with NBs exhibiting significantly higher stable and inertial cavitation doses compared to MBs of the same gas volume when excited at a center frequency of 105 kHz and peak negative pressures ranging from 100 to 350 kPa. At 200 kHz, MBs showed higher cavitation doses than NBs. PCD showed that 105 kHz enhanced both NBs’ and MBs’ oscillations compared to 200 kHz. The system was further used for 3D passive acoustic mapping (PAM) to provide spatial resolution alongside PCD monitoring. Two-dimensional PAM was captured for each rotation angle and used to generate a complete 3D PAM reconstruction. Experimental results obtained from a tube phantom demonstrated consistent contrast PAM full-width half-maximum (FWHM) as a function of rotation angle, with similar FWHM between MBs and NBs. Frequency-selective PAM maps distinguished between stable and inertial cavitation via the harmonic, ultraharmonic and broadband content, offering insights into cavitation dynamics. These findings highlight NBs’ superior performance at lower frequencies. The developed 3D-PAM technique with a 1D transducer presents a promising technology for real-time, noninvasive monitoring of cavitation-based US therapies.</p>","PeriodicalId":29798,"journal":{"name":"ACS Materials Au","volume":"5 1","pages":"159–169 159–169"},"PeriodicalIF":5.7,"publicationDate":"2024-10-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/epdf/10.1021/acsmaterialsau.4c00064","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143091620","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
ACS Materials AuPub Date : 2024-10-29eCollection Date: 2025-01-08DOI: 10.1021/acsmaterialsau.4c00064
Hila Shinar, Tali Ilovitsh
{"title":"Volumetric Passive Acoustic Mapping and Cavitation Detection of Nanobubbles under Low-Frequency Insonation.","authors":"Hila Shinar, Tali Ilovitsh","doi":"10.1021/acsmaterialsau.4c00064","DOIUrl":"10.1021/acsmaterialsau.4c00064","url":null,"abstract":"<p><p>Gas bubbles, commonly used in medical ultrasound (US), witness advancements with nanobubbles (NB), providing improved capabilities over microbubbles (MB). NBs offer enhanced penetration into capillaries and the ability to extravasate into tumors following systemic injection, alongside prolonged circulation and persistent acoustic contrast. Low-frequency insonation (<1 MHz) with NBs holds great potential in inducing significant bioeffects, making the monitoring of their acoustic response critical to achieving therapeutic goals. We introduce a US-guided focused US system comprising a one-dimensional (1D) motorized rotating imaging transducer positioned within a low-frequency therapeutic transducer (center frequencies of 105 and 200 kHz), facilitating precise monitoring of NB cavitation activity in three-dimensional (3D) and comparison with MBs. Passive cavitation detection (PCD) revealed frequency-dependent responses, with NBs exhibiting significantly higher stable and inertial cavitation doses compared to MBs of the same gas volume when excited at a center frequency of 105 kHz and peak negative pressures ranging from 100 to 350 kPa. At 200 kHz, MBs showed higher cavitation doses than NBs. PCD showed that 105 kHz enhanced both NBs' and MBs' oscillations compared to 200 kHz. The system was further used for 3D passive acoustic mapping (PAM) to provide spatial resolution alongside PCD monitoring. Two-dimensional PAM was captured for each rotation angle and used to generate a complete 3D PAM reconstruction. Experimental results obtained from a tube phantom demonstrated consistent contrast PAM full-width half-maximum (FWHM) as a function of rotation angle, with similar FWHM between MBs and NBs. Frequency-selective PAM maps distinguished between stable and inertial cavitation via the harmonic, ultraharmonic and broadband content, offering insights into cavitation dynamics. These findings highlight NBs' superior performance at lower frequencies. The developed 3D-PAM technique with a 1D transducer presents a promising technology for real-time, noninvasive monitoring of cavitation-based US therapies.</p>","PeriodicalId":29798,"journal":{"name":"ACS Materials Au","volume":"5 1","pages":"159-169"},"PeriodicalIF":5.7,"publicationDate":"2024-10-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11718533/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142972395","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
ACS Materials AuPub Date : 2024-10-29eCollection Date: 2025-01-08DOI: 10.1021/acsmaterialsau.4c00118
Kamil Marcisz, Mosayeb Gharakhloo, Damian Jagleniec, Jan Pawlowski, Jan Romanski, Marcin Karbarz
{"title":"Electrochemical Controlling of Double Microgel Layer Formation on an Electrode Surface via an Electrosensitive Inclusion Complex.","authors":"Kamil Marcisz, Mosayeb Gharakhloo, Damian Jagleniec, Jan Pawlowski, Jan Romanski, Marcin Karbarz","doi":"10.1021/acsmaterialsau.4c00118","DOIUrl":"10.1021/acsmaterialsau.4c00118","url":null,"abstract":"<p><p>In this study, we demonstrate the formation of a self-assembled microgel double layer on an electrode surface, utilizing the ability to form electro-responsive, reversible inclusion complexes between microgels modified with ferrocene and β-cyclodextrin in these systems. The bottom layer was based on microgels containing ferrocene moieties and derivatives of cysteine. The presence of the amino acid derivative enabled the formation of the well-packed monolayer on the gold surface through chemisorption, while ferrocene was responsible for electroactivity. The addition of βCD-modified microgel led to the formation of the second monolayer, ultimately creating the double layer. Our investigation focuses on the electrochemically controlled formation and deformation processes of the double microgel layer.</p>","PeriodicalId":29798,"journal":{"name":"ACS Materials Au","volume":"5 1","pages":"191-199"},"PeriodicalIF":5.7,"publicationDate":"2024-10-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11718541/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142972386","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
ACS Materials AuPub Date : 2024-10-29DOI: 10.1021/acsmaterialsau.4c0011810.1021/acsmaterialsau.4c00118
Kamil Marcisz, Mosayeb Gharakhloo, Damian Jagleniec, Jan Pawlowski, Jan Romanski and Marcin Karbarz*,
{"title":"Electrochemical Controlling of Double Microgel Layer Formation on an Electrode Surface via an Electrosensitive Inclusion Complex","authors":"Kamil Marcisz, Mosayeb Gharakhloo, Damian Jagleniec, Jan Pawlowski, Jan Romanski and Marcin Karbarz*, ","doi":"10.1021/acsmaterialsau.4c0011810.1021/acsmaterialsau.4c00118","DOIUrl":"https://doi.org/10.1021/acsmaterialsau.4c00118https://doi.org/10.1021/acsmaterialsau.4c00118","url":null,"abstract":"<p >In this study, we demonstrate the formation of a self-assembled microgel double layer on an electrode surface, utilizing the ability to form electro-responsive, reversible inclusion complexes between microgels modified with ferrocene and β-cyclodextrin in these systems. The bottom layer was based on microgels containing ferrocene moieties and derivatives of cysteine. The presence of the amino acid derivative enabled the formation of the well-packed monolayer on the gold surface through chemisorption, while ferrocene was responsible for electroactivity. The addition of βCD-modified microgel led to the formation of the second monolayer, ultimately creating the double layer. Our investigation focuses on the electrochemically controlled formation and deformation processes of the double microgel layer.</p>","PeriodicalId":29798,"journal":{"name":"ACS Materials Au","volume":"5 1","pages":"191–199 191–199"},"PeriodicalIF":5.7,"publicationDate":"2024-10-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/epdf/10.1021/acsmaterialsau.4c00118","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143091618","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Understanding Defect-Mediated Ion Migration in Semiconductors using Atomistic Simulations and Machine Learning.","authors":"Md Habibur Rahman, Maitreyo Biswas, Arun Mannodi-Kanakkithodi","doi":"10.1021/acsmaterialsau.4c00095","DOIUrl":"10.1021/acsmaterialsau.4c00095","url":null,"abstract":"<p><p>Ion migration in semiconductor devices is facilitated by the presence of point defects and has a major influence on electronic and optical properties. It is important to understand and identify ways to mitigate photoinduced and electrically induced defect-mediated ion migration in semiconductors. In this Perspective, we discuss the fundamental mechanisms of defect-mediated ion migration and diffusion as understood through atomistic simulations. The discussion covers a variety of case studies from the literature, with a special focus on metal halide perovskites, important materials for solar absorption and related optoelectronic applications. Tuning the perovskite composition and dimensionality and applying systematic strains are identified as ways to suppress phase segregation and ion migration. This Perspective delves into first-principles modeling approaches for defect migration and diffusion, presenting detailed case studies on the diffusion of defects and dopants in CdTe, hydrogen impurities in halide perovskites, and halogen migration in hybrid perovskites and emphasizing the importance of organic cations. The discussion further extends to accelerating the prediction of migration pathways and barriers through machine learning approaches, particularly the application of crystal-graph neural networks. By combining theoretical insights with practical case studies, this Perspective aims to provide an understanding of defect-mediated ion migration and suggestions for next-generation semiconductor discovery while considering ion migration suppression as one of many design objectives.</p>","PeriodicalId":29798,"journal":{"name":"ACS Materials Au","volume":"4 6","pages":"557-573"},"PeriodicalIF":5.7,"publicationDate":"2024-10-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11565286/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142649109","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
ACS Materials AuPub Date : 2024-10-25DOI: 10.1021/acsmaterialsau.4c0009610.1021/acsmaterialsau.4c00096
Elham Foadian, Sheryl Sanchez, Sergei V. Kalinin and Mahshid Ahmadi*,
{"title":"From Sunlight to Solutions: Closing the Loop on Halide Perovskites","authors":"Elham Foadian, Sheryl Sanchez, Sergei V. Kalinin and Mahshid Ahmadi*, ","doi":"10.1021/acsmaterialsau.4c0009610.1021/acsmaterialsau.4c00096","DOIUrl":"https://doi.org/10.1021/acsmaterialsau.4c00096https://doi.org/10.1021/acsmaterialsau.4c00096","url":null,"abstract":"<p >Halide perovskites (HPs) are emerging as key materials in the fight against global warming with well recognized applications, such as photovoltaics, and emergent opportunities, such as photocatalysis for methane removal and environmental remediation. These current and emergent applications are enabled by a unique combination of high absorption coefficients, tunable band gaps, and long carrier diffusion lengths, making them highly efficient for solar energy conversion. To address the challenge of discovery and optimization of HPs in huge chemical and compositional spaces of possible candidates, this perspective discusses a comprehensive strategy for screening HPs through automated high-throughput and combinatorial synthesis techniques. A critical aspect of this approach is closing the characterization loop, where machine learning (ML) and human collaboration play pivotal roles. By leveraging human creativity and domain knowledge for hypothesis generation and employing ML to test and refine these hypotheses efficiently, we aim to accelerate the discovery and optimization of HPs under specific environmental conditions. This synergy enables rapid identification of the most promising materials, advancing from fundamental discovery to scalable manufacturability. Our ultimate goal of this work is to transition from laboratory-scale innovations to real-world applications, ensuring that HPs can be deployed effectively in technologies that mitigate global warming, such as in solar energy harvesting and methane removal systems.</p>","PeriodicalId":29798,"journal":{"name":"ACS Materials Au","volume":"5 1","pages":"11–23 11–23"},"PeriodicalIF":5.7,"publicationDate":"2024-10-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/epdf/10.1021/acsmaterialsau.4c00096","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143091664","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
ACS Materials AuPub Date : 2024-10-25eCollection Date: 2025-01-08DOI: 10.1021/acsmaterialsau.4c00096
Elham Foadian, Sheryl Sanchez, Sergei V Kalinin, Mahshid Ahmadi
{"title":"From Sunlight to Solutions: Closing the Loop on Halide Perovskites.","authors":"Elham Foadian, Sheryl Sanchez, Sergei V Kalinin, Mahshid Ahmadi","doi":"10.1021/acsmaterialsau.4c00096","DOIUrl":"10.1021/acsmaterialsau.4c00096","url":null,"abstract":"<p><p>Halide perovskites (HPs) are emerging as key materials in the fight against global warming with well recognized applications, such as photovoltaics, and emergent opportunities, such as photocatalysis for methane removal and environmental remediation. These current and emergent applications are enabled by a unique combination of high absorption coefficients, tunable band gaps, and long carrier diffusion lengths, making them highly efficient for solar energy conversion. To address the challenge of discovery and optimization of HPs in huge chemical and compositional spaces of possible candidates, this perspective discusses a comprehensive strategy for screening HPs through automated high-throughput and combinatorial synthesis techniques. A critical aspect of this approach is closing the characterization loop, where machine learning (ML) and human collaboration play pivotal roles. By leveraging human creativity and domain knowledge for hypothesis generation and employing ML to test and refine these hypotheses efficiently, we aim to accelerate the discovery and optimization of HPs under specific environmental conditions. This synergy enables rapid identification of the most promising materials, advancing from fundamental discovery to scalable manufacturability. Our ultimate goal of this work is to transition from laboratory-scale innovations to real-world applications, ensuring that HPs can be deployed effectively in technologies that mitigate global warming, such as in solar energy harvesting and methane removal systems.</p>","PeriodicalId":29798,"journal":{"name":"ACS Materials Au","volume":"5 1","pages":"11-23"},"PeriodicalIF":5.7,"publicationDate":"2024-10-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11718539/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142971068","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}