Pub Date : 2024-11-06DOI: 10.1016/j.jechem.2024.10.041
Yu Hao , Dongfang Chen , Guangxin Yang , Song Hu , Shunyu Wang , Pucheng Pei , Jinkai Hao , Xiaoming Xu
Water electrolysis for hydrogen production offers a promising solution to future energy crises and environmental challenges. Although platinum is an efficient catalyst for hydrogen evolution reactions (HERs), its high cost and stability challenges limit its widespread use. A novel platinum-based catalyst, comprising platinum nanoparticles on nitrogen-doped porous graphite (Pt-N-porous graphite), addresses these limitations. This catalyst prevents nanoparticle aggregation, provides a high specific surface area of 1308 m2 g−1, and enhances mass transfer and active site exposure. Additionally, it exhibits superior electrical conductivity compared to commercial Pt-C, enhancing charge transfer efficiency. The Pt-N-porous graphite catalyst achieves an overpotential of 99 mV at 100 mA cm−2 and maintains stable performance after 10,000 cycles. Applied as a catalyst-coated membrane (CCM) in a proton exchange membrane (PEM) electrolyzer, it demonstrates excellent performance. Thus, the industrially synthesizable Pt-N-porous graphite catalyst holds great potential for large-scale energy applications.
{"title":"N-doped porous graphite with multilevel pore defects and ultra-high conductivity anchoring Pt nanoparticles for proton exchange membrane water electrolyzers","authors":"Yu Hao , Dongfang Chen , Guangxin Yang , Song Hu , Shunyu Wang , Pucheng Pei , Jinkai Hao , Xiaoming Xu","doi":"10.1016/j.jechem.2024.10.041","DOIUrl":"10.1016/j.jechem.2024.10.041","url":null,"abstract":"<div><div>Water electrolysis for hydrogen production offers a promising solution to future energy crises and environmental challenges. Although platinum is an efficient catalyst for hydrogen evolution reactions (HERs), its high cost and stability challenges limit its widespread use. A novel platinum-based catalyst, comprising platinum nanoparticles on nitrogen-doped porous graphite (Pt-N-porous graphite), addresses these limitations. This catalyst prevents nanoparticle aggregation, provides a high specific surface area of 1308 m<sup>2</sup> g<sup>−1</sup>, and enhances mass transfer and active site exposure. Additionally, it exhibits superior electrical conductivity compared to commercial Pt-C, enhancing charge transfer efficiency. The Pt-N-porous graphite catalyst achieves an overpotential of 99 mV at 100 mA cm<sup>−2</sup> and maintains stable performance after 10,000 cycles. Applied as a catalyst-coated membrane (CCM) in a proton exchange membrane (PEM) electrolyzer, it demonstrates excellent performance. Thus, the industrially synthesizable Pt-N-porous graphite catalyst holds great potential for large-scale energy applications.</div></div>","PeriodicalId":15728,"journal":{"name":"Journal of Energy Chemistry","volume":"102 ","pages":"Pages 290-301"},"PeriodicalIF":13.1,"publicationDate":"2024-11-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142701604","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-11-06DOI: 10.1016/j.jechem.2024.10.039
Hao Li , Qiushi Chen , Lili Feng , Yueling Zou , Xuzhong Gong , Zhi Wang , Junhao Liu
Silicon nanowires (SiNWs) have been used in a wide variety of applications over the past few decades due to their excellent material properties. The only drawback is the high production cost of SiNWs. The preparation of SiNWs from photovoltaic waste silicon (WSi) powders, which are high-volume industrial wastes, not only avoids the secondary energy consumption and environmental pollution caused by complicated recycling methods, but also realizes its high-value utilization. Herein, we present a method to rapidly convert photovoltaic WSi powders into SiNWs products. The flash heating and quenching provided by carbothermal shock induce the production of free silicon atoms from the WSi powders, which are rapidly reorganized and assembled into SiNWs during the vapor-phase process. This method allows for the one-step composite of SiNWs and carbon cloth (CC) and the formation of SiC at the interface of the silicon (Si) and carbon (C) contact to create a stable chemical connection. The obtained SiNWs-CC (SiNWs@CC) composites can be directly used as lithium anodes, exhibiting high initial coulombic efficiency (86.4%) and stable cycling specific capacity (2437.4 mA h g−1 at 0.5 A g−1 after 165 cycles). In addition, various SiNWs@C composite electrodes are easily prepared using this method.
过去几十年来，硅纳米线（SiNWs）因其优异的材料特性被广泛应用于各种领域。唯一的缺点是硅纳米线的生产成本较高。利用光伏废硅（WSi）粉末这种高产量的工业废弃物制备 SiNW，不仅避免了复杂的回收方法所带来的二次能源消耗和环境污染，还实现了其高价值利用。在此，我们提出了一种将光伏用 WSi 粉快速转化为 SiNWs 产品的方法。碳热冲击提供的瞬间加热和淬火诱导 WSi 粉末产生游离硅原子，这些硅原子在气相过程中迅速重组并组装成 SiNW。这种方法可以一步完成 SiNW 和碳布 (CC) 的复合，并在硅（Si）和碳（C）接触的界面上形成碳化硅，从而建立稳定的化学连接。获得的 SiNWs-CC （SiNWs@CC）复合材料可直接用作锂阳极，表现出较高的初始库仑效率（86.4%）和稳定的循环比容量（165 次循环后，在 0.5 A g-1 条件下，比容量为 2437.4 mA h g-1）。此外，使用这种方法还能轻松制备出各种 SiNWs@C 复合电极。
{"title":"Vapor-phase conversion of waste silicon powders to silicon nanowires for ultrahigh and ultra-stable energy storage performance","authors":"Hao Li , Qiushi Chen , Lili Feng , Yueling Zou , Xuzhong Gong , Zhi Wang , Junhao Liu","doi":"10.1016/j.jechem.2024.10.039","DOIUrl":"10.1016/j.jechem.2024.10.039","url":null,"abstract":"<div><div>Silicon nanowires (SiNWs) have been used in a wide variety of applications over the past few decades due to their excellent material properties. The only drawback is the high production cost of SiNWs. The preparation of SiNWs from photovoltaic waste silicon (WSi) powders, which are high-volume industrial wastes, not only avoids the secondary energy consumption and environmental pollution caused by complicated recycling methods, but also realizes its high-value utilization. Herein, we present a method to rapidly convert photovoltaic WSi powders into SiNWs products. The flash heating and quenching provided by carbothermal shock induce the production of free silicon atoms from the WSi powders, which are rapidly reorganized and assembled into SiNWs during the vapor-phase process. This method allows for the one-step composite of SiNWs and carbon cloth (CC) and the formation of SiC at the interface of the silicon (Si) and carbon (C) contact to create a stable chemical connection. The obtained SiNWs-CC (SiNWs@CC) composites can be directly used as lithium anodes, exhibiting high initial coulombic efficiency (86.4%) and stable cycling specific capacity (2437.4 mA h g<sup>−1</sup> at 0.5 A g<sup>−1</sup> after 165 cycles). In addition, various SiNWs@C composite electrodes are easily prepared using this method.</div></div>","PeriodicalId":15728,"journal":{"name":"Journal of Energy Chemistry","volume":"102 ","pages":"Pages 27-36"},"PeriodicalIF":13.1,"publicationDate":"2024-11-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142701637","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-11-06DOI: 10.1016/j.jechem.2024.10.038
Manman Chen , Cai Zhao , Yan Li , Hui Wang , Kaihang Wang , Shengchen Yang , Yue Gao , Wenjuan Zhang , Chun Chen , Tao Zhang , Lei Wen , Kehua Dai , Jing Mao
To address the challenges of air stability and slurry processability in layered transition metal oxide O3-type NaNi1/3Fe1/3Mn1/3O2 (NFM) for sodium-ion batteries (SIBs), we have designed an innovative 500 °C reheating strategy. This method improves the surface properties of NFM without the need for additional coating layers, making it more efficient and suitable for large-scale applications. Pristine NFM (NFM-P) was first synthesized through a high-temperature solid-state method and then modified using this reheating approach (NFM-HT). This strategy significantly enhances air stability and electrochemical performance, yielding an initial discharge specific capacity of 151.46 mAh/g at 0.1C, with a remarkable capacity retention of 95.04% after 100 cycles at 0.5C. Additionally, a 1.7 Ah NFM||HC (hard carbon) pouch cell demonstrates excellent long-term cycling stability (94.64% retention after 500 cycles at 1C), superior rate capability (86.48% retention at 9C), and strong low-temperature performance (77% retention at − 25 °C, continuing power supply at − 40 °C). Notably, even when overcharged to 8.29 V, the pouch cell remained safe without combustion or explosion. This reheating strategy, which eliminates the need for a coating layer, offers a simpler, more scalable solution for industrial production while maintaining outstanding electrochemical performance. These results pave the way for broader commercial adoption of NFM materials.
{"title":"Breaking boundaries in O3-type NaNi1/3Fe1/3Mn1/3O2 cathode materials for sodium-ion batteries: An industrially scalable reheating strategy for superior electrochemical performance","authors":"Manman Chen , Cai Zhao , Yan Li , Hui Wang , Kaihang Wang , Shengchen Yang , Yue Gao , Wenjuan Zhang , Chun Chen , Tao Zhang , Lei Wen , Kehua Dai , Jing Mao","doi":"10.1016/j.jechem.2024.10.038","DOIUrl":"10.1016/j.jechem.2024.10.038","url":null,"abstract":"<div><div>To address the challenges of air stability and slurry processability in layered transition metal oxide O3-type NaNi<sub>1/3</sub>Fe<sub>1/3</sub>Mn<sub>1/3</sub>O<sub>2</sub> (NFM) for sodium-ion batteries (SIBs), we have designed an innovative 500 °C reheating strategy. This method improves the surface properties of NFM without the need for additional coating layers, making it more efficient and suitable for large-scale applications. Pristine NFM (NFM-P) was first synthesized through a high-temperature solid-state method and then modified using this reheating approach (NFM-HT). This strategy significantly enhances air stability and electrochemical performance, yielding an initial discharge specific capacity of 151.46 mAh/g at 0.1C, with a remarkable capacity retention of 95.04% after 100 cycles at 0.5C. Additionally, a 1.7 Ah NFM||HC (hard carbon) pouch cell demonstrates excellent long-term cycling stability (94.64% retention after 500 cycles at 1C), superior rate capability (86.48% retention at 9C), and strong low-temperature performance (77% retention at − 25 °C, continuing power supply at − 40 °C). Notably, even when overcharged to 8.29 V, the pouch cell remained safe without combustion or explosion. This reheating strategy, which eliminates the need for a coating layer, offers a simpler, more scalable solution for industrial production while maintaining outstanding electrochemical performance. These results pave the way for broader commercial adoption of NFM materials.</div></div>","PeriodicalId":15728,"journal":{"name":"Journal of Energy Chemistry","volume":"102 ","pages":"Pages 107-119"},"PeriodicalIF":13.1,"publicationDate":"2024-11-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142701645","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-11-05DOI: 10.1016/j.jechem.2024.10.034
Chen Zheng , Xinwei Guan , Zihang Huang , Shuai Mao , Xu Han , Xiaoguang Duan , Hui Li , Tianyi Ma
Rechargeable aqueous Zn-MoOx batteries are promising energy storage devices with high theoretical specific capacity and low cost. However, MoO3 cathodes suffer drastic capacity decay during the initial discharging/charging process in conventional electrolytes, resulting in a short cycle life and challenging the development of Zn-MoOx batteries. Here we comprehensively investigate the dissolution mechanism of MoO3 cathodes and innovatively introduce a polymer to inhibit the irreversible processes. Our findings reveal that this capacity decay originates from the irreversible Zn2+/H+ co-intercalation/extraction process in aqueous electrolytes. Even worse, during Zn2+ intercalation, the formed ZnxMoO3−x intermediate phase with lower valence states (Mo5+/Mo4+) experiences severe dissolution in aqueous environments. To address these challenges, we developed a first instance of coating a polyaniline (PANI) shell around the MoO3 nanorod effectively inhibiting these irreversible processes and protecting structural integrity during long-term cycling. Detailed structural analysis and theoretical calculations indicate that =N– groups in PANI@MoO3−x simultaneously weaken H+ adsorption and enhance Zn2+ adsorption, which endowed the PANI@MoO3−x cathode with reversible Zn2+/H+ intercalation/extraction. Consequently, the obtained PANI@MoO3−x cathode delivers an excellent discharge capacity of 316.86 mA h g−1 at 0.1 A g−1 and prolonged cycling stability of 75.49% capacity retention after 1000 cycles at 5 A g−1. This work addresses the critical issues associated with MoO3 cathodes and significantly advances the understanding of competitive multi-ion energy storage mechanisms in aqueous Zn-MoO3 batteries.
{"title":"Inhibiting irreversible Zn2+/H+ co-insertion chemistry in aqueous zinc-MoOx batteries for enhanced capacity stability","authors":"Chen Zheng , Xinwei Guan , Zihang Huang , Shuai Mao , Xu Han , Xiaoguang Duan , Hui Li , Tianyi Ma","doi":"10.1016/j.jechem.2024.10.034","DOIUrl":"10.1016/j.jechem.2024.10.034","url":null,"abstract":"<div><div>Rechargeable aqueous Zn-MoO<em><sub>x</sub></em> batteries are promising energy storage devices with high theoretical specific capacity and low cost. However, MoO<sub>3</sub> cathodes suffer drastic capacity decay during the initial discharging/charging process in conventional electrolytes, resulting in a short cycle life and challenging the development of Zn-MoO<em><sub>x</sub></em> batteries. Here we comprehensively investigate the dissolution mechanism of MoO<sub>3</sub> cathodes and innovatively introduce a polymer to inhibit the irreversible processes. Our findings reveal that this capacity decay originates from the irreversible Zn<sup>2+</sup>/H<sup>+</sup> co-intercalation/extraction process in aqueous electrolytes. Even worse, during Zn<sup>2+</sup> intercalation, the formed Zn<em><sub>x</sub></em>MoO<sub>3−</sub><em><sub>x</sub></em> intermediate phase with lower valence states (Mo<sup>5+</sup>/Mo<sup>4+</sup>) experiences severe dissolution in aqueous environments. To address these challenges, we developed a first instance of coating a polyaniline (PANI) shell around the MoO<sub>3</sub> nanorod effectively inhibiting these irreversible processes and protecting structural integrity during long-term cycling. Detailed structural analysis and theoretical calculations indicate that =N– groups in PANI@MoO<sub>3−</sub><em><sub>x</sub></em> simultaneously weaken H<sup>+</sup> adsorption and enhance Zn<sup>2+</sup> adsorption, which endowed the PANI@MoO<sub>3−</sub><em><sub>x</sub></em> cathode with reversible Zn<sup>2+</sup>/H<sup>+</sup> intercalation/extraction. Consequently, the obtained PANI@MoO<sub>3−</sub><em><sub>x</sub></em> cathode delivers an excellent discharge capacity of 316.86 mA h g<sup>−1</sup> at 0.1 A g<sup>−1</sup> and prolonged cycling stability of 75.49% capacity retention after 1000 cycles at 5 A g<sup>−1</sup>. This work addresses the critical issues associated with MoO<sub>3</sub> cathodes and significantly advances the understanding of competitive multi-ion energy storage mechanisms in aqueous Zn-MoO<sub>3</sub> batteries.</div></div>","PeriodicalId":15728,"journal":{"name":"Journal of Energy Chemistry","volume":"102 ","pages":"Pages 98-106"},"PeriodicalIF":13.1,"publicationDate":"2024-11-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142701644","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-11-05DOI: 10.1016/j.jechem.2024.10.035
Wei-Hong Liu , Qi-Jun Liu , Fu-Sheng Liu , Zheng-Tang Liu
Excellent detonation performances and low sensitivity are prerequisites for the deployment of energetic materials. Exploring the underlying factors that affect impact sensitivity and detonation performances as well as exploring how to obtain materials with desired properties remains a long-term challenge. Machine learning with its ability to solve complex tasks and perform robust data processing can reveal the relationship between performance and descriptive indicators, potentially accelerating the development process of energetic materials. In this background, impact sensitivity, detonation performances, and 28 physicochemical parameters for 222 energetic materials from density functional theory calculations and published literature were sorted out. Four machine learning algorithms were employed to predict various properties of energetic materials, including impact sensitivity, detonation velocity, detonation pressure, and Gurney energy. Analysis of Pearson coefficients and feature importance showed that the heat of explosion, oxygen balance, decomposition products, and HOMO energy levels have a strong correlation with the impact sensitivity of energetic materials. Oxygen balance, decomposition products, and density have a strong correlation with detonation performances. Utilizing impact sensitivity of 2,3,4-trinitrotoluene and the detonation performances of 2,4,6-trinitrobenzene-1,3,5-triamine as the benchmark, the analysis of feature importance rankings and statistical data revealed the optimal range of key features balancing impact sensitivity and detonation performances: oxygen balance values should be between −40% and −30%, density should range from 1.66 to 1.72 g/cm3, HOMO energy levels should be between −6.34 and −6.31 eV, and lipophilicity should be between −1.0 and 0.1, 4.49 and 5.59. These findings not only offer important insights into the impact sensitivity and detonation performances of energetic materials, but also provide a theoretical guidance paradigm for the design and development of new energetic materials with optimal detonation performances and reduced sensitivity.
{"title":"Machine learning approaches for predicting impact sensitivity and detonation performances of energetic materials","authors":"Wei-Hong Liu , Qi-Jun Liu , Fu-Sheng Liu , Zheng-Tang Liu","doi":"10.1016/j.jechem.2024.10.035","DOIUrl":"10.1016/j.jechem.2024.10.035","url":null,"abstract":"<div><div>Excellent detonation performances and low sensitivity are prerequisites for the deployment of energetic materials. Exploring the underlying factors that affect impact sensitivity and detonation performances as well as exploring how to obtain materials with desired properties remains a long-term challenge. Machine learning with its ability to solve complex tasks and perform robust data processing can reveal the relationship between performance and descriptive indicators, potentially accelerating the development process of energetic materials. In this background, impact sensitivity, detonation performances, and 28 physicochemical parameters for 222 energetic materials from density functional theory calculations and published literature were sorted out. Four machine learning algorithms were employed to predict various properties of energetic materials, including impact sensitivity, detonation velocity, detonation pressure, and Gurney energy. Analysis of Pearson coefficients and feature importance showed that the heat of explosion, oxygen balance, decomposition products, and HOMO energy levels have a strong correlation with the impact sensitivity of energetic materials. Oxygen balance, decomposition products, and density have a strong correlation with detonation performances. Utilizing impact sensitivity of 2,3,4-trinitrotoluene and the detonation performances of 2,4,6-trinitrobenzene-1,3,5-triamine as the benchmark, the analysis of feature importance rankings and statistical data revealed the optimal range of key features balancing impact sensitivity and detonation performances: oxygen balance values should be between −40% and −30%, density should range from 1.66 to 1.72 g/cm<sup>3</sup>, HOMO energy levels should be between −6.34 and −6.31 eV, and lipophilicity should be between −1.0 and 0.1, 4.49 and 5.59. These findings not only offer important insights into the impact sensitivity and detonation performances of energetic materials, but also provide a theoretical guidance paradigm for the design and development of new energetic materials with optimal detonation performances and reduced sensitivity.</div></div>","PeriodicalId":15728,"journal":{"name":"Journal of Energy Chemistry","volume":"102 ","pages":"Pages 161-171"},"PeriodicalIF":13.1,"publicationDate":"2024-11-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142701587","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-11-05DOI: 10.1016/j.jechem.2024.10.033
Haixuan Yu , Zhiguo Zhang , Huaxia Ban , Xiongjie Li , Zhirong Liu , Junyi Huang , Wanpeng Yang , Yan Shen , Mingkui Wang
The lead-free inorganic perovskite CsSnI3 is considered as one of the best candidates for emerging photovoltaics. Nevertheless, CsSnI3-based perovskite solar cells experience a significant drop in performance due to the nonradiative recombination facilitated by trapping. Here, we show an electron donor passivation method to regulate deep-level defects for CsSnI3 perovskite with electron donor pyrrole. Experimental observations combined with theoretical simulations verify that the saturation of Tin dangling bonds with pyrrole on the CsSnI3 surface via a Lewis acid-base addition reaction can significantly reduce the density of deep-level defects. Consequently, the printable mesoporous perovskite solar cells with an FTO/compact-TiO2/mesoporous-TiO2/Al2O3/NiO/carbon framework device structure penetrated with CsSnI3 achieve a power conversion efficiency of up to 10.11%. To our knowledge, this represents the highest efficiency reported to date for lead-free perovskite-based printable mesoporous solar cells. Furthermore, the unencapsulated devices demonstrated remarkable long-term stability, retaining 92% of their initial efficiency even after 2400 h of aging in a nitrogen atmosphere.
{"title":"Deep level defect passivation for printable mesoporous CsSnI3 perovskite solar cells with efficiency above 10%","authors":"Haixuan Yu , Zhiguo Zhang , Huaxia Ban , Xiongjie Li , Zhirong Liu , Junyi Huang , Wanpeng Yang , Yan Shen , Mingkui Wang","doi":"10.1016/j.jechem.2024.10.033","DOIUrl":"10.1016/j.jechem.2024.10.033","url":null,"abstract":"<div><div>The lead-free inorganic perovskite CsSnI<sub>3</sub> is considered as one of the best candidates for emerging photovoltaics. Nevertheless, CsSnI<sub>3</sub>-based perovskite solar cells experience a significant drop in performance due to the nonradiative recombination facilitated by trapping. Here, we show an electron donor passivation method to regulate deep-level defects for CsSnI<sub>3</sub> perovskite with electron donor pyrrole. Experimental observations combined with theoretical simulations verify that the saturation of Tin dangling bonds with pyrrole on the CsSnI<sub>3</sub> surface via a Lewis acid-base addition reaction can significantly reduce the density of deep-level defects. Consequently, the printable mesoporous perovskite solar cells with an FTO/compact-TiO<sub>2</sub>/mesoporous-TiO<sub>2</sub>/Al<sub>2</sub>O<sub>3</sub>/NiO/carbon framework device structure penetrated with CsSnI<sub>3</sub> achieve a power conversion efficiency of up to 10.11%. To our knowledge, this represents the highest efficiency reported to date for lead-free perovskite-based printable mesoporous solar cells. Furthermore, the unencapsulated devices demonstrated remarkable long-term stability, retaining 92% of their initial efficiency even after 2400 h of aging in a nitrogen atmosphere.</div></div>","PeriodicalId":15728,"journal":{"name":"Journal of Energy Chemistry","volume":"102 ","pages":"Pages 10-17"},"PeriodicalIF":13.1,"publicationDate":"2024-11-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142701755","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-11-05DOI: 10.1016/j.jechem.2024.10.032
Yoshiyasu Takefuji
{"title":"Unveiling hidden biases in machine learning feature importance","authors":"Yoshiyasu Takefuji","doi":"10.1016/j.jechem.2024.10.032","DOIUrl":"10.1016/j.jechem.2024.10.032","url":null,"abstract":"","PeriodicalId":15728,"journal":{"name":"Journal of Energy Chemistry","volume":"102 ","pages":"Pages 49-51"},"PeriodicalIF":13.1,"publicationDate":"2024-11-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142701639","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-11-05DOI: 10.1016/j.jechem.2024.10.030
Rui Zhao, Chunyang Zhang, Liting Wei, Yan Zhang, Daixing Wei, Jinzhan Su, Liejin Guo
Although electrocatalytic water splitting holds significant promise for hydrogen production, unfavorable reaction energy barriers and kinetic properties lead to unsatisfactory conversion efficiency. Herein, we provide an innovative strategy to optimize the electrochemical activity of the Fe/Ni2P catalyst through near-infrared (NIR)-induced photothermal effect. The Fe/Ni2P-NIR yields a current density of 10 mA cm−2 at ultralow overpotentials of 16 mV for the hydrogen evolution reaction (HER) and 167 mV for the oxygen evolution reaction (OER), with Tafel slopes of 38.7 and 46.2 mV dec−1, respectively. This bifunctional catalyst also delivers 10 mA cm−2 at a low voltage of 1.40 V for overall water splitting. The NIR photoinduced local thermal effect activates abundant catalytic sites, accelerates charge and mass transfer, and improves intrinsic reaction kinetics. Guided by density functional theory (DFT) calculations, the photothermal effect reduces the energy barriers of the rate-determining steps (RDS) for *H desorption on Fe/Ni2P during HER and *O formation on its reconstructed active phase NiFeOOH during OER. We realized photothermal-electrochemical integration with Fe/Ni2P-NIR in an anion exchange membrane (AEM) electrolyzer, attaining 500 mA cm−2 at 1.76 V, with excellent stability over 50 h. This strategy may significantly advance energy conversion technology towards economic hydrogen production through water electrolysis.
尽管电催化水分离在制氢方面前景广阔，但不利的反应能垒和动力学特性导致转化效率不尽人意。在此，我们提供了一种创新策略，通过近红外（NIR）诱导的光热效应来优化 Fe/Ni2P 催化剂的电化学活性。在氢进化反应（HER）和氧进化反应（OER）的超低过电位（分别为 16 mV 和 167 mV）下，Fe/Ni2P-NIR 的电流密度分别为 10 mA cm-2，塔菲尔斜率分别为 38.7 和 46.2 mV dec-1。这种双功能催化剂还能在 1.40 V 的低电压下提供 10 mA cm-2 的电流，用于整体水分离。近红外光诱导的局部热效应激活了丰富的催化位点，加速了电荷和质量的转移，并改善了内在反应动力学。在密度泛函理论（DFT）计算的指导下，光热效应降低了HER过程中Fe/Ni2P上*H解吸和OER过程中其重构活性相NiFeOOH上*O形成的速率决定步骤（RDS）的能量障碍。我们在阴离子交换膜（AEM）电解槽中实现了与 Fe/Ni2P-NIR 的光热-电化学集成，在 1.76 V 电压下可达到 500 mA cm-2，并在 50 h 内具有极佳的稳定性。
{"title":"Photothermally enhanced electrocatalytic water splitting with iron-doped nickel phosphide","authors":"Rui Zhao, Chunyang Zhang, Liting Wei, Yan Zhang, Daixing Wei, Jinzhan Su, Liejin Guo","doi":"10.1016/j.jechem.2024.10.030","DOIUrl":"10.1016/j.jechem.2024.10.030","url":null,"abstract":"<div><div>Although electrocatalytic water splitting holds significant promise for hydrogen production, unfavorable reaction energy barriers and kinetic properties lead to unsatisfactory conversion efficiency. Herein, we provide an innovative strategy to optimize the electrochemical activity of the Fe/Ni<sub>2</sub>P catalyst through near-infrared (NIR)-induced photothermal effect. The Fe/Ni<sub>2</sub>P-NIR yields a current density of 10 mA cm<sup>−2</sup> at ultralow overpotentials of 16 mV for the hydrogen evolution reaction (HER) and 167 mV for the oxygen evolution reaction (OER), with Tafel slopes of 38.7 and 46.2 mV dec<sup>−1</sup>, respectively. This bifunctional catalyst also delivers 10 mA cm<sup>−2</sup> at a low voltage of 1.40 V for overall water splitting. The NIR photoinduced local thermal effect activates abundant catalytic sites, accelerates charge and mass transfer, and improves intrinsic reaction kinetics. Guided by density functional theory (DFT) calculations, the photothermal effect reduces the energy barriers of the rate-determining steps (RDS) for *H desorption on Fe/Ni<sub>2</sub>P during HER and *O formation on its reconstructed active phase NiFeOOH during OER. We realized photothermal-electrochemical integration with Fe/Ni<sub>2</sub>P-NIR in an anion exchange membrane (AEM) electrolyzer, attaining 500 mA cm<sup>−2</sup> at 1.76 V, with excellent stability over 50 h. This strategy may significantly advance energy conversion technology towards economic hydrogen production through water electrolysis.</div></div>","PeriodicalId":15728,"journal":{"name":"Journal of Energy Chemistry","volume":"102 ","pages":"Pages 243-252"},"PeriodicalIF":13.1,"publicationDate":"2024-11-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142701769","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Aqueous aluminum ion batteries (AAIBs) have garnered extensive attention due to their environmental friendliness, high theoretical capacity, and low cost. However, the sluggish reaction kinetics and severe structural collapse of the cathode material, especially manganese oxide, during the cycling process have hindered its further application. Herein, Cu2+ pre-intercalated layered δ-MnO2 was synthesized via a hydrothermal method. The pre-intercalated Cu2+ ions not only improve the conductivity of MnO2 cathode but also stabilize the structure to enhance stability. X-ray absorption fine structure (XAFS) combined with density functional theory (DFT) calculations confirm the formation of the covalent bond between Cu and O, increasing the electronegativity of O atoms and enhancing the H+ adsorption energy. Moreover, ex-situ measurements not only elucidate the Al3+/H+ co-insertion energy storage mechanism but also demonstrate the high reversibility of the Cu-MnO2 cathode during cycling. This work provides a promising modification approach for the application of manganese oxides in AAIBs.
水性铝离子电池（AAIBs）因其环保、理论容量高和成本低而受到广泛关注。然而，在循环过程中，阴极材料（尤其是氧化锰）反应迟缓、结构严重坍塌，阻碍了其进一步应用。在此，我们通过水热法合成了 Cu2+ 预叠层 δ-MnO2。预镶层的 Cu2+ 离子不仅提高了 MnO2 阴极的导电性，而且稳定了结构，增强了稳定性。X 射线吸收精细结构（XAFS）结合密度泛函理论（DFT）计算证实了 Cu 和 O 之间形成共价键，从而提高了 O 原子的电负性，增强了 H+的吸附能。此外，原位测量不仅阐明了 Al3+/H+ 共插入储能机制，还证明了 Cu-MnO2 阴极在循环过程中的高可逆性。这项工作为锰氧化物在 AAIB 中的应用提供了一种前景广阔的改性方法。
{"title":"Enhancing H+ intercalation kinetics and stability in Cu2+ pre-intercalated δ-MnO2 for aqueous aluminum batteries","authors":"Hanqing Gu , Mingjun Chen , Zhibao Wang, Wenming Zhang, Zhanyu Li","doi":"10.1016/j.jechem.2024.10.031","DOIUrl":"10.1016/j.jechem.2024.10.031","url":null,"abstract":"<div><div>Aqueous aluminum ion batteries (AAIBs) have garnered extensive attention due to their environmental friendliness, high theoretical capacity, and low cost. However, the sluggish reaction kinetics and severe structural collapse of the cathode material, especially manganese oxide, during the cycling process have hindered its further application. Herein, Cu<sup>2+</sup> pre-intercalated layered <em>δ</em>-MnO<sub>2</sub> was synthesized via a hydrothermal method. The pre-intercalated Cu<sup>2+</sup> ions not only improve the conductivity of MnO<sub>2</sub> cathode but also stabilize the structure to enhance stability. X-ray absorption fine structure (XAFS) combined with density functional theory (DFT) calculations confirm the formation of the covalent bond between Cu and O, increasing the electronegativity of O atoms and enhancing the H<sup>+</sup> adsorption energy. Moreover, ex-situ measurements not only elucidate the Al<sup>3+</sup>/H<sup>+</sup> co-insertion energy storage mechanism but also demonstrate the high reversibility of the Cu-MnO<sub>2</sub> cathode during cycling. This work provides a promising modification approach for the application of manganese oxides in AAIBs.</div></div>","PeriodicalId":15728,"journal":{"name":"Journal of Energy Chemistry","volume":"102 ","pages":"Pages 126-133"},"PeriodicalIF":13.1,"publicationDate":"2024-11-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142701641","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Na-ion batteries are considered a promising next-generation battery alternative to Li-ion batteries, due to the abundant Na resources and low cost. Most efforts focus on developing new materials to enhance energy density and electrochemical performance to enable it comparable to Li-ion batteries, without considering thermal hazard of Na-ion batteries and comparison with Li-ion batteries. To address this issue, our work comprehensively compares commercial prismatic lithium iron phosphate (LFP) battery, lithium nickel cobalt manganese oxide (NCM523) battery and Na-ion battery of the same size from thermal hazard perspective using Accelerating Rate Calorimeter. The thermal hazard of the three cells is then qualitatively assessed from thermal stability, early warning and thermal runaway severity perspectives by integrating eight characteristic parameters. The Na-ion cell displays comparable thermal stability with LFP while LFP exhibits the lowest thermal runaway hazard and severity. However, the Na-ion cell displays the lowest safety venting temperature and the longest time interval between safety venting and thermal runaway, allowing the generated gas to be released as early as possible and detected in a timely manner, providing sufficient time for early warning. Finally, a database of thermal runaway characteristic temperature for Li-ion and Na-ion cells is collected and processed to delineate four thermal hazard levels for quantitative assessment. Overall, LFP cells exhibit the lowest thermal hazard, followed by the Na-ion cells and NCM523 cells. This work clarifies the thermal hazard discrepancy between the Na-ion cell and prevalent Li-ion cells, providing crucial guidance for development and application of Na-ion cell.
{"title":"Thermal hazard comparison and assessment of Li-ion battery and Na-ion battery","authors":"Wenxin Mei, Zhixiang Cheng, Longbao Wang, Anqi Teng, Zhiyuan Li, Kaiqiang Jin, Jinhua Sun, Qingsong Wang","doi":"10.1016/j.jechem.2024.10.036","DOIUrl":"10.1016/j.jechem.2024.10.036","url":null,"abstract":"<div><div>Na-ion batteries are considered a promising next-generation battery alternative to Li-ion batteries, due to the abundant Na resources and low cost. Most efforts focus on developing new materials to enhance energy density and electrochemical performance to enable it comparable to Li-ion batteries, without considering thermal hazard of Na-ion batteries and comparison with Li-ion batteries. To address this issue, our work comprehensively compares commercial prismatic lithium iron phosphate (LFP) battery, lithium nickel cobalt manganese oxide (NCM523) battery and Na-ion battery of the same size from thermal hazard perspective using Accelerating Rate Calorimeter. The thermal hazard of the three cells is then qualitatively assessed from thermal stability, early warning and thermal runaway severity perspectives by integrating eight characteristic parameters. The Na-ion cell displays comparable thermal stability with LFP while LFP exhibits the lowest thermal runaway hazard and severity. However, the Na-ion cell displays the lowest safety venting temperature and the longest time interval between safety venting and thermal runaway, allowing the generated gas to be released as early as possible and detected in a timely manner, providing sufficient time for early warning. Finally, a database of thermal runaway characteristic temperature for Li-ion and Na-ion cells is collected and processed to delineate four thermal hazard levels for quantitative assessment. Overall, LFP cells exhibit the lowest thermal hazard, followed by the Na-ion cells and NCM523 cells. This work clarifies the thermal hazard discrepancy between the Na-ion cell and prevalent Li-ion cells, providing crucial guidance for development and application of Na-ion cell.</div></div>","PeriodicalId":15728,"journal":{"name":"Journal of Energy Chemistry","volume":"102 ","pages":"Pages 18-26"},"PeriodicalIF":13.1,"publicationDate":"2024-11-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142701636","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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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