Pub Date : 2023-10-01DOI: 10.1016/j.trechm.2023.08.005
Rayan Chakraborty, Volker Blum
Over the past decade, hybrid perovskite research has evolved to a point where the literature contains an enormous volume of chemical and physical information. However, many essential material design challenges remain open for researchers to address. The dispersed nature of the large, rapidly growing body of hybrid perovskite materials data poses a barrier to systematic discovery efforts, which can be solved by materials property databases, either by high-throughput or by systematic, accurate human-curated efforts. This opinioned review article discusses the necessity, challenges, and requirements of building such data libraries. In light of using machine learning (ML) and related tools to solve specific problems, the importance of information related to different material attributes and properties is also highlighted.
{"title":"Curated materials data of hybrid perovskites: approaches and potential usage","authors":"Rayan Chakraborty, Volker Blum","doi":"10.1016/j.trechm.2023.08.005","DOIUrl":"https://doi.org/10.1016/j.trechm.2023.08.005","url":null,"abstract":"Over the past decade, hybrid perovskite research has evolved to a point where the literature contains an enormous volume of chemical and physical information. However, many essential material design challenges remain open for researchers to address. The dispersed nature of the large, rapidly growing body of hybrid perovskite materials data poses a barrier to systematic discovery efforts, which can be solved by materials property databases, either by high-throughput or by systematic, accurate human-curated efforts. This opinioned review article discusses the necessity, challenges, and requirements of building such data libraries. In light of using machine learning (ML) and related tools to solve specific problems, the importance of information related to different material attributes and properties is also highlighted.","PeriodicalId":48544,"journal":{"name":"Trends in Chemistry","volume":"16 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135274971","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-10-01DOI: 10.1016/s2589-5974(23)00212-5
{"title":"Advisory Board and Contents","authors":"","doi":"10.1016/s2589-5974(23)00212-5","DOIUrl":"https://doi.org/10.1016/s2589-5974(23)00212-5","url":null,"abstract":"","PeriodicalId":48544,"journal":{"name":"Trends in Chemistry","volume":"124 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"134935342","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-09-01DOI: 10.1016/j.trechm.2023.09.001
Yong Yuan, William N. Porter, Jingguang G. Chen
Propane dehydrogenation to propylene has received increasing attention due to the fast growth in propylene demand and the exploration of shale gas containing propane. Direct dehydrogenation of propane (DDHP) offers high propylene selectivity but is limited by quick deactivation due to coke formation. CO2-assisted oxidative dehydrogenation of propane (CO2-ODHP) can consume CO2 and meanwhile reduce coke deposition via the reverse Boudouard reaction. In the current review, direct and CO2-assisted dehydrogenation of propane has been compared from three aspects: reaction mechanisms, catalyst compositions, and CO2 footprint analysis. As the average CO2 emissions from electricity generation decrease due to the utilization of renewable energy, CO2-ODHP potentially leads to a net-negative CO2 footprint while DDHP cannot.
{"title":"Comparison of direct and CO2-oxidative dehydrogenation of propane","authors":"Yong Yuan, William N. Porter, Jingguang G. Chen","doi":"10.1016/j.trechm.2023.09.001","DOIUrl":"https://doi.org/10.1016/j.trechm.2023.09.001","url":null,"abstract":"Propane dehydrogenation to propylene has received increasing attention due to the fast growth in propylene demand and the exploration of shale gas containing propane. Direct dehydrogenation of propane (DDHP) offers high propylene selectivity but is limited by quick deactivation due to coke formation. CO2-assisted oxidative dehydrogenation of propane (CO2-ODHP) can consume CO2 and meanwhile reduce coke deposition via the reverse Boudouard reaction. In the current review, direct and CO2-assisted dehydrogenation of propane has been compared from three aspects: reaction mechanisms, catalyst compositions, and CO2 footprint analysis. As the average CO2 emissions from electricity generation decrease due to the utilization of renewable energy, CO2-ODHP potentially leads to a net-negative CO2 footprint while DDHP cannot.","PeriodicalId":48544,"journal":{"name":"Trends in Chemistry","volume":"70 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135589032","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-09-01DOI: 10.1016/j.trechm.2023.07.004
Beza Tuga, Tana O’Keefe, Chaoyi Deng, Andrea T. Ligocki, Jason C. White, Christy L. Haynes
Progress toward achieving global food security continues to be hindered by several economic, geo-political, and environmental variables which has led the United Nations to place emphasis on achieving Zero Hunger by 2030. Thus, it is important to invest in novel, eco-friendly, and cost-effective solutions that will increase agricultural productivity. For this reason, nanoscale materials are increasingly being developed for use in agriculture with attention on controlling various properties such as size, shape, surface modifications, and transformations for improved impact in plants. With continued interdisciplinary and collaborative efforts among nanoparticle experts and plant scientists, the research area will evolve to identify the best nanoparticle properties for foliar application to plants.
{"title":"Designing nanoparticles for sustainable agricultural applications","authors":"Beza Tuga, Tana O’Keefe, Chaoyi Deng, Andrea T. Ligocki, Jason C. White, Christy L. Haynes","doi":"10.1016/j.trechm.2023.07.004","DOIUrl":"https://doi.org/10.1016/j.trechm.2023.07.004","url":null,"abstract":"Progress toward achieving global food security continues to be hindered by several economic, geo-political, and environmental variables which has led the United Nations to place emphasis on achieving Zero Hunger by 2030. Thus, it is important to invest in novel, eco-friendly, and cost-effective solutions that will increase agricultural productivity. For this reason, nanoscale materials are increasingly being developed for use in agriculture with attention on controlling various properties such as size, shape, surface modifications, and transformations for improved impact in plants. With continued interdisciplinary and collaborative efforts among nanoparticle experts and plant scientists, the research area will evolve to identify the best nanoparticle properties for foliar application to plants.","PeriodicalId":48544,"journal":{"name":"Trends in Chemistry","volume":"23 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135427663","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-09-01DOI: 10.1016/s2589-5974(23)00196-x
{"title":"Subscription and Copyright Information","authors":"","doi":"10.1016/s2589-5974(23)00196-x","DOIUrl":"https://doi.org/10.1016/s2589-5974(23)00196-x","url":null,"abstract":"","PeriodicalId":48544,"journal":{"name":"Trends in Chemistry","volume":"22 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135150946","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-09-01DOI: 10.1016/j.trechm.2023.08.007
Nils Hertl, Reinhard J. Maurer
Hydrogen adsorption is an important cornerstone of many natural and technological processes, yet its atomistic details are not fully understood. Here, we review recent advances to understand the interactions between atomic hydrogen and substrates that lead to adsorption and discuss open questions.
{"title":"Energy transfer during hydrogen atom collisions with surfaces","authors":"Nils Hertl, Reinhard J. Maurer","doi":"10.1016/j.trechm.2023.08.007","DOIUrl":"https://doi.org/10.1016/j.trechm.2023.08.007","url":null,"abstract":"Hydrogen adsorption is an important cornerstone of many natural and technological processes, yet its atomistic details are not fully understood. Here, we review recent advances to understand the interactions between atomic hydrogen and substrates that lead to adsorption and discuss open questions.","PeriodicalId":48544,"journal":{"name":"Trends in Chemistry","volume":"28 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135588222","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-09-01DOI: 10.1016/s2589-5974(23)00193-4
{"title":"Advisory Board and Contents","authors":"","doi":"10.1016/s2589-5974(23)00193-4","DOIUrl":"https://doi.org/10.1016/s2589-5974(23)00193-4","url":null,"abstract":"","PeriodicalId":48544,"journal":{"name":"Trends in Chemistry","volume":"18 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135150947","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-09-01DOI: 10.1016/j.trechm.2023.08.006
Si Hong, Xiaojun Shen, Tong-Qi Yuan, Haipeng Yu, Feng Wang
Lignin, the only large-volume sustainable source of aromatic biopolymer in nature, is an attractive feedstock for the production of functional materials. However, considering its high reactivity, lignin is difficult to extract without avoiding uncontrolled degradation and condensation, which significantly impedes the upgrading of the extracted lignin into high-valued materials. Deep eutectic solvents (DES), as an emerging solvent choice, have driven innumerable advances in sustainable biorefinery, especially in lignin fractionation and valorization. Due to their property tunability and high lignin solubility, lignin modification with DES is an appealing approach to boost the extracted lignin’s reactivity and compatibility with polymers. This review systematically summarizes the latest progress of DES in lignin modification and further upgrading into functional materials.
{"title":"Unlocking lignin’s potential with innovative DES technology","authors":"Si Hong, Xiaojun Shen, Tong-Qi Yuan, Haipeng Yu, Feng Wang","doi":"10.1016/j.trechm.2023.08.006","DOIUrl":"https://doi.org/10.1016/j.trechm.2023.08.006","url":null,"abstract":"Lignin, the only large-volume sustainable source of aromatic biopolymer in nature, is an attractive feedstock for the production of functional materials. However, considering its high reactivity, lignin is difficult to extract without avoiding uncontrolled degradation and condensation, which significantly impedes the upgrading of the extracted lignin into high-valued materials. Deep eutectic solvents (DES), as an emerging solvent choice, have driven innumerable advances in sustainable biorefinery, especially in lignin fractionation and valorization. Due to their property tunability and high lignin solubility, lignin modification with DES is an appealing approach to boost the extracted lignin’s reactivity and compatibility with polymers. This review systematically summarizes the latest progress of DES in lignin modification and further upgrading into functional materials.","PeriodicalId":48544,"journal":{"name":"Trends in Chemistry","volume":"45 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135304772","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-08-01DOI: 10.1016/s2589-5974(23)00174-0
{"title":"Subscription and Copyright Information","authors":"","doi":"10.1016/s2589-5974(23)00174-0","DOIUrl":"https://doi.org/10.1016/s2589-5974(23)00174-0","url":null,"abstract":"","PeriodicalId":48544,"journal":{"name":"Trends in Chemistry","volume":"56 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"136021774","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-08-01DOI: 10.1016/s2589-5974(23)00171-5
{"title":"Advisory Board and Contents","authors":"","doi":"10.1016/s2589-5974(23)00171-5","DOIUrl":"https://doi.org/10.1016/s2589-5974(23)00171-5","url":null,"abstract":"","PeriodicalId":48544,"journal":{"name":"Trends in Chemistry","volume":"1 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"136021775","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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