ACS Applied Energy Materials最新文献

High-Specific Power Flexible Photovoltaics from Large-Area MoS₂ for Space Applications. 用于空间应用的大面积二硫化钼高比功率柔性光伏。

IF 5.4 3区材料科学

ACS Applied Energy Materials Pub Date : 2025-01-02 eCollection Date: 2025-01-13 DOI: 10.1021/acsaem.4c01797

Timothy Ismael, Muhammad Aamir Abbas, Owen P Harris, George B Ingrish, Meghan E Bush, Joshua M Sasson, Jeremiah S McNatt, Matthew David Escarra

{"title":"High-Specific Power Flexible Photovoltaics from Large-Area MoS2 for Space Applications.","authors":"Timothy Ismael, Muhammad Aamir Abbas, Owen P Harris, George B Ingrish, Meghan E Bush, Joshua M Sasson, Jeremiah S McNatt, Matthew David Escarra","doi":"10.1021/acsaem.4c01797","DOIUrl":"https://doi.org/10.1021/acsaem.4c01797","url":null,"abstract":"Two-dimensional (2D) transition metal dichalcogenides (TMDCs) such as MoS2 and WSe2 are excellent candidates for photovoltaic (PV) applications. Here, we present the modeling, fabrication, and characterization of large-area CVD-grown MoS2-based flexible PV on an off-the-shelf, 3 μm-thick flexible colorless polyimide with polyimide encapsulation designed for space structures. The devices are characterized under 1 sun AM0 illumination and show a V OC of 0.180 V and a specific power of 0.001 kW/kg for a subnanometer-thick, single MoS2 monolayer absorber. Model projections indicate that the polyimide encapsulant introduces negligible absorption loss, and up to 12.97 kW/kg specific power is attainable for a 100 nm-thick MoS2 absorber layer. The devices maintain their performance after repetitive bending down to 5 mm bend radius. An increase in performance is measured after radiation exposure to 1 MeV e- fluence, which is partially attributed to defect healing. Techno-economic analysis shows that even with a lower efficiency, the specific power of a 2D PV array designed for a 6U CubeSat is 2 orders of magnitude higher, and the cost to deploy in space is 2 orders of magnitude less than that of a Si panel used in space. This indicates that the 2D TMDC-based PV has great potential for space applications.","PeriodicalId":4,"journal":{"name":"ACS Applied Energy Materials","volume":"8 1","pages":"87-98"},"PeriodicalIF":5.4,"publicationDate":"2025-01-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11733925/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142996036","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Balancing pH and Pressure Allows Boosting Voltage and Power Density for a H₂-I₂ Redox Flow Battery. 平衡pH值和压力允许提高H2-I2氧化还原液流电池的电压和功率密度。

IF 5.4 3区材料科学

ACS Applied Energy Materials Pub Date : 2024-12-24 eCollection Date: 2025-01-13 DOI: 10.1021/acsaem.4c03032

Kaustub Singh, Ameya Bondre, Kostadin V Petrov, David A Vermaas

{"title":"Balancing pH and Pressure Allows Boosting Voltage and Power Density for a H2-I2 Redox Flow Battery.","authors":"Kaustub Singh, Ameya Bondre, Kostadin V Petrov, David A Vermaas","doi":"10.1021/acsaem.4c03032","DOIUrl":"https://doi.org/10.1021/acsaem.4c03032","url":null,"abstract":"The decoupled power and energy output of a redox flow battery (RFB) offers a key advantage in long-duration energy storage, crucial for a successful energy transition. Iodide/iodine and hydrogen/water, owing to their fast reaction kinetics, benign nature, and high solubility, provide promising battery chemistry. However, H2-I2 RFBs suffer from low open circuit potentials, iodine crossover, and their multiphase nature. We demonstrate a H2-I2 operation with a combined neutral-pH catholyte (I3 -/I-) and an alkaline anolyte (KOH), producing an open circuit cell voltage of 1.28 V. Additionally, we incorporate a pressure-balanced gas diffusion electrode (GDE) to mitigate mass transport limitations at the anode. These improvements result in a maximum power density of 230 W/m2 when allowing a mild breakthrough of H2 through the GDE. While minimal crossover occurs, side reactions of permeating active species were found reversible, enabling long-term operation. Future work should address the stability of the GDE and optimization of the electrolyte thickness and concentration to fully leverage the potential unlocked by balancing the pressure and pH in the H2-I2 RFB.","PeriodicalId":4,"journal":{"name":"ACS Applied Energy Materials","volume":"8 1","pages":"631-639"},"PeriodicalIF":5.4,"publicationDate":"2024-12-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11733921/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142996033","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Supercapacitors and Related Materials 超级电容器及相关材料

IF 5.4 3区材料科学

ACS Applied Energy Materials Pub Date : 2024-12-23 DOI: 10.1021/acsaem.4c0303310.1021/acsaem.4c03033

Yonggang Wang, and , Zhong-Shuai Wu,

引用次数: 0

ACS Applied Materials & Interfaces Family Early Career Forum 2024 2024年ACS应用材料与接口家族早期职业论坛

IF 5.4 3区材料科学

ACS Applied Energy Materials Pub Date : 2024-12-23 DOI: 10.1021/acsaem.4c0296510.1021/acsaem.4c02965

Xing Yi Ling,

引用次数: 0

Long Time Scale Molecular Dynamics Simulation of Magnesium Hydride Dehydrogenation Enabled by Machine Learning Interatomic Potentials. 基于机器学习原子间势的氢氧化镁脱氢长时间分子动力学模拟。

IF 5.4 3区材料科学

ACS Applied Energy Materials Pub Date : 2024-12-19 eCollection Date: 2025-01-13 DOI: 10.1021/acsaem.4c02627

Oliver Morrison, Elena Uteva, Gavin S Walker, David M Grant, Sanliang Ling

{"title":"Long Time Scale Molecular Dynamics Simulation of Magnesium Hydride Dehydrogenation Enabled by Machine Learning Interatomic Potentials.","authors":"Oliver Morrison, Elena Uteva, Gavin S Walker, David M Grant, Sanliang Ling","doi":"10.1021/acsaem.4c02627","DOIUrl":"https://doi.org/10.1021/acsaem.4c02627","url":null,"abstract":"Magnesium hydride (MgH2) is a promising material for solid-state hydrogen storage due to its high gravimetric hydrogen capacity as well as the abundance and low cost of magnesium. The material's limiting factor is the high dehydrogenation temperature (over 300 °C) and sluggish (de)hydrogenation kinetics when no catalyst is present, making it impractical for onboard applications. Catalysts and physical restructuring (e.g., through ball milling) have both shown kinetic improvements, without full theoretical understanding as to why. In this work, we developed a machine learning interatomic potential (MLP) for the Mg-H system, which was used to run long time scale molecular dynamics (MD) simulations of a thick magnesium hydride surface slab for up to 1 ns. Our MLP-based MD simulations reveal previously unreported behavior of subsurface molecular H2 formation and subsequent trapping in the subsurface layer of MgH2. This hindered diffusion of subsurface H2 offers a partial explanation on the slow dehydrogenation kinetics of MgH2. The kinetics will be improved if a catalyst obstructs subsurface formation and trapping of H2 or if the diffusion of subsurface H2 is improved through defects created by physical restructuring.","PeriodicalId":4,"journal":{"name":"ACS Applied Energy Materials","volume":"8 1","pages":"492-502"},"PeriodicalIF":5.4,"publicationDate":"2024-12-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11733948/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142995969","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Simultaneous Control of Self-Assembly and Photon Harvesting Window in NIR-Sensitive Squaraine Dyes for Next-Generation Bifacial Solar Cells 新一代双面太阳能电池中nir敏感方胺染料自组装和光子收集窗口的同步控制

IF 5.4 3区材料科学

ACS Applied Energy Materials Pub Date : 2024-12-13 DOI: 10.1021/acsaem.4c0249710.1021/acsaem.4c02497

Safalmani Pradhan*, Yuki Kurokawa, Shekhar Gupta, Kshitij R. B. Singh and Shyam S. Pandey*,

{"title":"Simultaneous Control of Self-Assembly and Photon Harvesting Window in NIR-Sensitive Squaraine Dyes for Next-Generation Bifacial Solar Cells","authors":"Safalmani Pradhan*, Yuki Kurokawa, Shekhar Gupta, Kshitij R. B. Singh and Shyam S. Pandey*, ","doi":"10.1021/acsaem.4c0249710.1021/acsaem.4c02497","DOIUrl":"https://doi.org/10.1021/acsaem.4c02497https://doi.org/10.1021/acsaem.4c02497","url":null,"abstract":"Sensitizers utilized in dye-sensitized solar cells (DSSCs) play a crucial role in solar energy harvesting, and their capability to harvest photons in the wide-wavelength region encompassing visible to near-infrared regions is highly desirable. In addition to this, electron injection along with self-assembly of the dyes also plays a rather important role, and therefore their precise control is highly desirable and challenging too. This study deals with the molecular engineering approaches directed toward the molecular design and synthesis of two unsymmetrical squaraine dyes (SQ-260 and SQ-261), introducing extended π-conjugated moieties in the dye molecular framework of the reference dye SQ-258. Further, the bifacial DSSCs were fabricated using the dyes, and their photophysical and photovoltaic properties were investigated comprehensively. SQ-258, bearing a typical unsymmetrical squaraine dye structure, exhibited higher dye aggregation, a lower energy barrier for dye regeneration, and a relatively narrow photon harvesting window. SQ-260, possessing a cyanoacrylic acid moiety as its anchoring group, solved the problem of lower electron injection, but it exhibited higher aggregation. Finally, SQ-261 was logically designed by incorporating a 1,3-indandione moiety in the central squaric acid core and a cyanoacrylic acid anchoring group in the terminal indole ring, thereby allowing the simultaneous control of aggregation, greater electron injection, and wide-wavelength photon harvesting. However, SQ-261 displayed a lower power conversion efficiency (PCE), mainly due to a very low driving force for electron injection (0.17 eV). This lower driving force has been attributed to the lower band gap (Eg) of SQ-261, which is a consequence of its highly red-shifted absorption edge.","PeriodicalId":4,"journal":{"name":"ACS Applied Energy Materials","volume":"7 24","pages":"12004–12015 12004–12015"},"PeriodicalIF":5.4,"publicationDate":"2024-12-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/epdf/10.1021/acsaem.4c02497","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142870169","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Water-Stable Al(III) Coordination Polymer Glass with High Proton Conductivity toward Stable Electrolytes in a Fuel Cell 在燃料电池中具有高质子导电性的水稳定Al（III）配位聚合物玻璃

IF 5.4 3区材料科学

ACS Applied Energy Materials Pub Date : 2024-12-12 DOI: 10.1021/acsaem.4c0231010.1021/acsaem.4c02310

Kazuki Takahashi, Tomohiro Ogawa*, Tomoya Itakura, Kenichiro Kami and Satoshi Horike*,

{"title":"Water-Stable Al(III) Coordination Polymer Glass with High Proton Conductivity toward Stable Electrolytes in a Fuel Cell","authors":"Kazuki Takahashi, Tomohiro Ogawa*, Tomoya Itakura, Kenichiro Kami and Satoshi Horike*, ","doi":"10.1021/acsaem.4c0231010.1021/acsaem.4c02310","DOIUrl":"https://doi.org/10.1021/acsaem.4c02310https://doi.org/10.1021/acsaem.4c02310","url":null,"abstract":"Coordination polymer (CP) glasses make up a class of solid-state proton conductors as possible electrolytes for anhydrous H2/O2 fuel cells. Toward these potential applications, the development of water-stable CP glasses is crucial to maintaining stable power generation over the long-term. Here, we report a water-stable Al(III)-based CP glass ((dema)0.9[Al(H2O)1.8(H2PO4)3.9(H3PO4)1.1]). Compared to previously reported Zn-based CP glasses, the Al-based CP glass showed significantly higher hydrolytic stability due to stable coordination bonds. In addition to improved water stability, the Al-based CP glass exhibited high viscosity (η = 101–104 Pa·s) and high ionic conductivity (>20 mS·cm–1 at 120 °C) under anhydrous conditions. This unique property is attributed to a Grotthuss-type selective proton transport mechanism. The H2/O2 fuel cell power generation using this CP glass exhibited a high maximum power density (299 mW·cm–2) and high open-circuit voltage (0.93 V) under anhydrous conditions at 120 °C. These results demonstrate that the employment of Al(III) in CP glasses is a promising strategy for the practical application of CP glasses in fuel cell devices.","PeriodicalId":4,"journal":{"name":"ACS Applied Energy Materials","volume":"7 24","pages":"11937–11945 11937–11945"},"PeriodicalIF":5.4,"publicationDate":"2024-12-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142874971","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Target-Modified Main Catalytic Site of CuZn Dual-Atom Catalysts for Promoting Methane Oxidation to Methanol: A DFT Study 靶修饰CuZn双原子催化剂促进甲烷氧化制甲醇的主催化位点：DFT研究

IF 5.4 3区材料科学

ACS Applied Energy Materials Pub Date : 2024-12-12 DOI: 10.1021/acsaem.4c0175810.1021/acsaem.4c01758

Yuxin Wang, Yuxiu Wang, Chunhua Yang*, Jinxiao Li, Yun Jia, Yan Sun, Sen Zhang, Jing Zhang and Liwei Pan*,

{"title":"Target-Modified Main Catalytic Site of CuZn Dual-Atom Catalysts for Promoting Methane Oxidation to Methanol: A DFT Study","authors":"Yuxin Wang, Yuxiu Wang, Chunhua Yang*, Jinxiao Li, Yun Jia, Yan Sun, Sen Zhang, Jing Zhang and Liwei Pan*, ","doi":"10.1021/acsaem.4c0175810.1021/acsaem.4c01758","DOIUrl":"https://doi.org/10.1021/acsaem.4c01758https://doi.org/10.1021/acsaem.4c01758","url":null,"abstract":"The oxidation of methane to methanol is a major challenge because of the high energy barrier for CH3–H bond activation, yet dual-atom catalysts have great potential in this regard. Based on density functional theory (DFT) calculations, it was found that the N3Zn-CuN4-DOPL catalyst target-modified with 2,5-dioxopyrrole significantly reduces the energy barrier of the CH3–H bond activation (0.69–0.34 eV), facilitating the oxidation of methane to methanol. The electronic properties calculations revealed that the Cu atom acts similar as electron reservoir and electron channel, and the existence of a strong σ-bond between the Cu atom and the N4 atom can substantially increase the amount of electron loss from the Cu atom, thus promoting the oxidation of methane to methanol. The special electronic phenomenon that N3Zn-CuN4-DOPL promotes the CH3–H bond activation was named as the “bowstring-release effect.” That is, the Cu atom connected to the O* is equivalent to pulling the bowstring; the Cu atom releases the O*, which is equivalent to loosening the bowstring. This study provides useful guidance for regulating the catalytic activity by targeted modification of the main catalytic site of dual-atom catalysts.","PeriodicalId":4,"journal":{"name":"ACS Applied Energy Materials","volume":"7 24","pages":"11733–11740 11733–11740"},"PeriodicalIF":5.4,"publicationDate":"2024-12-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142870162","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Surface-Treated Composite Polymer as a Stable Artificial Solid Electrolyte Interphase Layer for Lithium Metal Anodes 表面处理复合聚合物作为一种稳定的人造金属锂阳极固体电解质界面层

IF 5.4 3区材料科学

ACS Applied Energy Materials Pub Date : 2024-12-12 DOI: 10.1021/acsaem.4c0259110.1021/acsaem.4c02591

Ridwan A. Ahmed, Krishna Prasad Koirala, Qian Zhao, Ju-Myung Kim, Cassidy Anderson, Chongmin Wang, Ji-Guang Zhang and Wu Xu*,

{"title":"Surface-Treated Composite Polymer as a Stable Artificial Solid Electrolyte Interphase Layer for Lithium Metal Anodes","authors":"Ridwan A. Ahmed, Krishna Prasad Koirala, Qian Zhao, Ju-Myung Kim, Cassidy Anderson, Chongmin Wang, Ji-Guang Zhang and Wu Xu*, ","doi":"10.1021/acsaem.4c0259110.1021/acsaem.4c02591","DOIUrl":"https://doi.org/10.1021/acsaem.4c02591https://doi.org/10.1021/acsaem.4c02591","url":null,"abstract":"Lithium (Li) metal batteries (LMBs) are some of the most promising high energy density batteries to meet the demands of electric transportation. However, the practical applications of LMBs are hindered by short cycle life and safety concerns, mainly associated with the side reactions between Li metal anode and liquid electrolyte and the growth of Li dendrites during cycling. In this study, we develop a stable artificial solid electrolyte interphase (aSEI) layer, which consists of a surface-treated (ST) PEO–Li6.4Ga0.2La3Zr2O12 composite polymer coating layer (CPL) on a Li metal anode. The developed aSEI is stable against a selected electrolyte and enables a uniform electrodeposition of Li. Therefore, STCPL@Li||LiNi0.8Mn0.1Co0.1O2 (NMC811) cells exhibit improved cycling stability compared with bare Li||NMC811 cells at moderate to high current densities. Notably, using a 50 μm-thick Li and a practical NMC811 cathode (∼4.8 mAh cm–2), a capacity retention of 85% is obtained for STCPL@Li||NMC811 cells at a current density of 2.4 mA cm–2 after 300 cycles compared with 24% for bare Li||NMC811 cells. Furthermore, STCPL@Li||NMC811 cells demonstrate higher capacities at charge current densities of 2.4, 4.8, and 7.2 mA cm–2 compared with bare Li||NMC811 cells. These findings suggest that STCPL is promising for high current density practical LMBs.","PeriodicalId":4,"journal":{"name":"ACS Applied Energy Materials","volume":"7 24","pages":"12084–12091 12084–12091"},"PeriodicalIF":5.4,"publicationDate":"2024-12-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142874967","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Correction to “Improving the Open-Circuit Voltage of III–V Layer-Filtered Si Subcells for Monolithic III–V/Si Tandem Solar Cells” 对“提高单片III-V /Si串联太阳能电池III-V层滤波硅亚电池开路电压”的修正

IF 5.4 3区材料科学

ACS Applied Energy Materials Pub Date : 2024-12-12 DOI: 10.1021/acsaem.4c0296910.1021/acsaem.4c02969

Eunkyo Ju, May Angelu Madarang, Yeonhwa Kim, Rafael Jumar Chu, Tsimafei Laryn, Younghyun Kim, Inho Kim, Tae Soo Kim, Sunghan Jeon, In-Hwan Lee, Jae-Hoon Han, Won Jun Choi and Daehwan Jung*,

引用次数: 0