| 1. |
- Huang, He, et al.
(författare)
-
Material informatics for uranium-bearing equiatomic disordered solid solution alloys
- 2021
-
Ingår i: Materials Today Communications. - : Elsevier BV. - 2352-4928. ; 29
-
Tidskriftsartikel (refereegranskat)abstract
- Near-equiatomic, multi-component alloys with disordered solid solution phase (DSSP) are associated with outstanding performance in phase stability, mechanical properties and irradiation resistance, and may provide a feasible solution for developing novel uranium-based alloys with better fuel capacity. In this work, we build a machine learning (ML) model of disordered solid solution alloys (DSSAs) based on about 6000 known multicomponent alloys and several materials descriptors to efficiently predict the DSSAs formation ability. To fully optimize the ML model, we develop a multi-algorithm cross-verification approach in combination with the SHapley Additive exPlanations value (SHAP value). We find that the Delta S-C, Lambda, Phi(s), gamma and 1/Omega, corresponding to the former two Hume - Rothery (H - R) rules, are the most important materials descriptors affecting DSSAs formation ability. When the ML model is applied to the 375 uranium-bearing DSSAs, 190 of them are predicted to be the DSSAs never known before. 20 of these alloys were randomly synthesized and characterized. Our predictions are in-line with experiments with 3 inconsistent cases, suggesting that our strategy offers a fast and accurate way to predict novel multi-component alloys with high DSSAs formation ability. These findings shed considerable light on the mapping between the material descriptors and DSSAs formation ability.
|
|
| 2. |
- Jiang, Chongyang, et al.
(författare)
-
Aprotic phosphonium‐based ionic liquid as electrolyte for high CO2 electroreduction to oxalate
- 2023
-
Ingår i: AIChE Journal. - : John Wiley & Sons. - 0001-1541 .- 1547-5905. ; 69:2
-
Tidskriftsartikel (refereegranskat)abstract
- In this study, a new CO2 electroreduction electrolyte system consisting of tetrabutylphosphonium 4-(methoxycarbonyl) phenol ([P4444][4-MF-PhO]) ionic liquid (IL) and acetonitrile (AcN) was designed to produce oxalate, and the electroreduction mechanism was studied. The results show that using the new IL-based electrolyte, the electroreduction system exhibits 93.8% Faradaic efficiency and 12.6 mA cm−2 partial current density of oxalate at −2.6 V. The formation rate of oxalate is 234.4 μmol cm−2 h−1, which is better than those reported in the literature. The mechanism study using density functional theory (DFT) calculations reveals that [P4444][4-MF-PhO] can effectively activate CO2 molecule through ester and phenoxy double active sites. In addition, in the phosphonium-based ionic environment, the potential barriers of the key intermediates *CO2− and *C2O42− are reduced by the induced electric field, which greatly facilitates the activation and conversion of CO2 molecule to oxalate.
|
|
| 3. |
- Li, Fangfang
(författare)
-
CO2 electrochemical reduction: Techno-economic evaluation and experimental research for producing methanol
- 2022
-
Licentiatavhandling (övrigt vetenskapligt/konstnärligt)abstract
- Recently, CO2 electrochemical reduction (CO2R) has gained popularity, to cope with the strict environmental rules on greenhouse gas emissions, and to convert CO2 to value-added chemicals/fuels. Ionic liquids (ILs) have been considered as potential media for CO2R owing to their multi-functions in enhancing CO2R solubility and improving CO2R reaction rate and product selectivity. To date, there have been many studies related to CO2R in IL-based systems, which primarily focused on fundamental research to offer findings about CO2R performance and reaction mechanisms, and one article focused on evaluating the economic potential of the stand-alone CO2R process without considering the upstream process or integrating into other processes. In fact, the integration of CO2R with upstream or other production processes will make the evaluation more practically significant, and thus deeper knowledge about the viability of the integrated CO2R process is needed, but relevant work is still lacking. Meanwhile, how to further improve the performance of CO2R is another concern.The goal of this work is to perform systematic studies on techno-economic assessment of the integrated CO2R process and experimental research for producing methanol (CH3OH) with ILsas electrolytes as the focus, since CH3OH is an important solvent, energy and hydrogen carrier, and feedstock.In the first part, an intensive literature survey was conducted to summarize the research progress, identify the state-of-the-art and provide the research gap for CO2R in the IL-based systems. It shows that the multi-functions as CO2 absorbents, reaction media, and co-catalysts give ILs a distinctive boosting effect on the CO2R performance. But now the research mainly focused on lab-scale experimental studies, while the viability of this technique on a large scale is unclear.In the second part, stand-alone CO2R producing CH3OH with IL as the absorbent and electrolyte was studied and then further integrated with biomass gasification. The economic feasibility and environmental impact were investigated and compared, under current and future conditions. Stand-alone CO2R process shows high total production cost (TPC) due to the high electrolyzer and electricity costs. The TPC could reduce from 1.44 to 1.02 €/kg-CH3OH under the current conditions after integration. Additionally, based on the analysis, electricity for CO2R is the main part of energy usage and dominates the CO2 emission of the integrated process.In the third part, techno-economic analysis of the integrated processes that combined CO2R in IL to produce CO, syngas, and CH3OH with biomass gasification for producing CH3OH was performed and contrasted with stand-alone biomass gasification and CO2R processes. The process that integrated with CO2R to CO was identified as the optimal pathway with the lowest TPC of 0.38 €/kg-CH3OH under the current condition. Sensitivity analysis confirmed that electricity and H2 prices are two key parameters influencing the TPC of the process, which is combined with CO2R to CO followed by hydrogenation to CH3OH; while for the integrated processes with CO2R to syngas and CH3OH, simultaneously reducing stack and electricity prices as well as improving CO2R performance are significant to make these processes viable in the future.In the fourth part, preliminary experimental research on CO2R to CH3OH with various catalysts in IL-based electrolytes was conducted to evaluate the influence of catalysts and ILs on the CO2R performance. It was found that CO2R to CH3OH by using copper-deposited nickel foam (CuNi) showed the optimal performance with current density and Faradic efficiency of CH3OH of 14 mA/cm2 and 46.31% under -1.7 V vs Ag/Ag+, respectively.
|
|
| 4. |
- Li, Fangfang, et al.
(författare)
-
Combination of CO2 electrochemical reduction and biomass gasification for producing methanol : A techno-economic assessment
- 2024
-
Ingår i: Energy Conversion and Management. - : Elsevier Ltd. - 0196-8904 .- 1879-2227. ; 307
-
Tidskriftsartikel (refereegranskat)abstract
- Combining CO2 electrochemical reduction (CO2R) and biomass gasification for producing methanol (CH3OH) is a promising option to increase the carbon efficiency, reduce total production cost (TPC), and realize the utilization of byproducts of CO2R system, but its viability has not been studied. In this work, systematic techno-economic assessments for the processes that combined CO2R to produce CO/syngas/CH3OH with biomass gasification were conducted and compared to stand-alone biomass gasification and CO2R processes, to identify the benefits and analyze the commercialization potential of different pathways under current and future conditions. The results demonstrated that the process that combined biomass gasification with CO2R to CO represents a viable pathway with a competitive TPC of 0.39 €/kg-CH3OH under the current condition. For all the combined cases, electricity usage for CO2R accounts for 36–76% of total operating cost, which plays a key role for TPC. Sensitivity analysis confirmed that the process that combined biomass gasification with CO2R to CO is sensitive to the price of electricity, while both CO2R performance and prices of stack and electricity are important for the processes that combined with CO2R to syngas/CH3OH.
|
|
| 5. |
- Li, Fangfang, et al.
(författare)
-
Combination of CO2 electrochemical reduction and biomass gasification for producing methanol: A techno-economic assessment
- 2024
-
Ingår i: Energy Conversion and Management. - : Elsevier. - 0196-8904 .- 1879-2227. ; 307
-
Tidskriftsartikel (refereegranskat)abstract
- Combining CO2 electrochemical reduction (CO2R) and biomass gasification for producing methanol (CH3OH) is a promising option to increase the carbon efficiency, reduce total production cost (TPC), and realize the utilization of byproducts of CO2R system, but its viability has not been studied. In this work, systematic techno-economic assessments for the processes that combined CO2R to produce CO/syngas/CH3OH with biomass gasification were conducted and compared to stand-alone biomass gasification and CO2R processes, to identify the benefits and analyze the commercialization potential of different pathways under current and future conditions. The results demonstrated that the process that combined biomass gasification with CO2R to CO represents a viable pathway with a competitive TPC of 0.39 €/kg-CH3OH under the current condition. For all the combined cases, electricity usage for CO2R accounts for 36–76% of total operating cost, which plays a key role for TPC. Sensitivity analysis confirmed that the process that combined biomass gasification with CO2R to CO is sensitive to the price of electricity, while both CO2R performance and prices of stack and electricity are important for the processes that combined with CO2R to syngas/CH3OH.
|
|
| 6. |
- Li, Jiajia, et al.
(författare)
-
Recent Applications of Ionic Liquids in Quasi-Solid-State Lithium Metal Batteries
- 2021
-
Ingår i: Green Chemical Engineering. - : Elsevier. - 2666-9528. ; 2:3, s. 253-265
-
Forskningsöversikt (refereegranskat)abstract
- Quasi-solid-state lithium metal batteries are considered as one of the most promising energy storage devices, and the application of ionic liquids (ILs) as a new generation of functionalized electrolyte components in lithium metal batteries has become one of the research focuses. In this review, the very recent research work related to using IL to develop quasi-solid-state electrolytes and their influences on the performances of quasi-solid-state lithium metal batteries were surveyed and summarized, suggesting that the introduction of ILs can improve the ionic conductivity, broaden the electrochemical stability window, and enhance the electrochemical stability of selected electrolytes. Moreover, using ILs to prepare high-performance electrodes with unique microstructures and uniform distribution of fillers were also introduced. The composite quasi-solid-state electrolytes were suggested as the mainstream of electrolytes in the future due to the combination of the advantages of inorganic and polymer quasi-solid-state electrolytes, and their development challenges in high energy and high safety quasi-solid-state lithium metal batteries were also discussed.
|
|
| 7. |
- Li, Yangshuo, et al.
(författare)
-
Electrochemical CO2 reduction with ionic liquids: review and evaluation
- 2023
-
Ingår i: Industrial Chemistry & Materials. - : Royal Society of Chemistry. - 2755-2608 .- 2755-2500. ; 1:3, s. 410-430
-
Forskningsöversikt (refereegranskat)abstract
- The increasing CO2 emission, as the chief culprit causing numerous environmental problems, could be addressed by the electrochemical CO2 reduction (CO2R) to the added-value carbon-based chemicals. Ionic liquids (ILs) as electrolytes and co-catalysts have been widely studied to promote CO2R owing to their unique advantages. Among the potential products of CO2R, those only containing one carbon atom, named C1 products, including CO, CH3OH, CH4, and syngas, are easier to achieve than others. In this study, we first summarized the research status on CO2R to these C1 products, and then, the state-of-the-art experimental results were used to evaluate the economic potential and environmental impact. Considering the rapid development in CO2R, future scenarios with better CO2R performances were reasonably assumed to predict the future business for each product. Among the studied C1 products, the research focuses on CO, where satisfactory results have been achieved. The evaluation shows that producing CO via CO2R is the only profitable route at present. CH3OH and syngas of H2/CO (1 : 1) as the targeted products can become profitable in the foreseen future. In addition, the life cycle assessment (LCA) was used to evaluate the environmental impact, showing that CO2R to CH4 is the most environmentally friendly pathway, followed by the syngas of H2/CO (2 : 1) and CO, and the further improvement of the CO2R performance can make all the studied C1 products more environmentally friendly. Overall, CO is the most promising product from both economic and environmental impact aspects.
|
|
| 8. |
- Zhu, Can, et al.
(författare)
-
Tuning the electron-deficient core of a non-fullerene acceptor to achieve over 17% efficiency in a single-junction organic solar cell
- 2020
-
Ingår i: Energy & Environmental Science. - : ROYAL SOC CHEMISTRY. - 1754-5692 .- 1754-5706. ; 13:8, s. 2459-2466
-
Tidskriftsartikel (refereegranskat)abstract
- Finding effective molecular design strategies to enable efficient charge generation and small energy loss is among the long-standing challenges in developing high performance non-fullerene organic solar cells (OSCs). Recently, we reported Y-series non-fullerene acceptors with an electron-deficient-core-based fused structure (typically Y6), opening a new door to achieve high external quantum efficiency (∼80%) while maintaining low energy loss (∼0.57 eV). On this basis, further reducing the energy losses and ultimately improving the performance of OSCs has become a research hotspot. In this paper, we design and synthesize a new member of the Y-series acceptor family, Y18, which adopts a fused benzotriazole segment with unique luminescence properties as its electron-deficient core. Compared to Y6, the benzotriazole-based acceptor Y18 exhibits extended optical absorption and higher voltage. Consequently, the device delivers a promising power conversion efficiency of 16.52% with a very low energy loss of 0.53 eV. Further device optimization by exploiting a ternary blend strategy allowed us to achieve a high efficiency of 17.11% (certified as 16.76% by NREL). Y18 may become one of the most important candidate materials for its broader absorption spectra and higher voltage of Y18 (compared to Y6) in the OSCs field.
|
|
| 9. |
- Ai, Chao, et al.
(författare)
-
Current Development on Origami/Kirigami‐Inspired Structure of Creased Patterns toward Robotics
- 2021
-
Ingår i: Advanced Engineering Materials. - : Wiley. - 1438-1656 .- 1527-2648. ; 23:10, s. 2100473-2100473
-
Tidskriftsartikel (refereegranskat)abstract
- Origami/kirigami, the ancient art of paper folding and cutting techniques, has provided considerable inspiration for structural design routes in the engineering and medical fields over the last few decades. The practicability of the methods and concepts of origami/kirigami has been demonstrated in several emerging classes of technologies, e.g., stretchable electronics, deformable devices, self-assembly fabrication, etc. More and more related products are produced pursuing a folding form for better storage, deformation capacity, and multifunction realization. Herein, the innovative creased patterns of origami/kirigami designs are distinguished and discussed, and the four most widely used creased pattern types are introduced, which may potentially provide origami/kirigami related inspiration and additional solutions toward many research fields.
|
|
| 10. |
- Bentham, James, et al.
(författare)
-
A century of trends in adult human height
- 2016
-
Ingår i: eLIFE. - 2050-084X. ; 5
-
Tidskriftsartikel (refereegranskat)abstract
- Being taller is associated with enhanced longevity, and higher education and earnings. We reanalysed 1472 population-based studies, with measurement of height on more than 18.6 million participants to estimate mean height for people born between 1896 and 1996 in 200 countries. The largest gain in adult height over the past century has occurred in South Korean women and Iranian men, who became 20.2 cm (95% credible interval 17.522.7) and 16.5 cm (13.319.7) taller, respectively. In contrast, there was little change in adult height in some sub-Saharan African countries and in South Asia over the century of analysis. The tallest people over these 100 years are men born in the Netherlands in the last quarter of 20th century, whose average heights surpassed 182.5 cm, and the shortest were women born in Guatemala in 1896 (140.3 cm; 135.8144.8). The height differential between the tallest and shortest populations was 19-20 cm a century ago, and has remained the same for women and increased for men a century later despite substantial changes in the ranking of countries.
|
|
