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Room-temperature multiple ligands-tailored SnO_(2) quantum dots endow in situ dual-interface binding for upscaling efficient perovskite photovoltaics with high V_(OC)

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Light(Science & Applications) 2021年第12期10卷 2467-2481页

作者： Zhiwei Ren Kuan Liu Hanlin Hu Xuyun Guo Yajun Gao Patrick W.K.Fong Qiong Liang Hua Tang Jiaming Huang Hengkai Zhang Minchao Qin Li Cui Hrisheekesh Thachoth Chandran Dong Shen Ming-Fai Lo Annie Ng Charles Surya Minhua Shao Chun-Sing Lee Xinhui Lu Frédéric Laquai Ye Zhu Gang Li Department of Electronic and Information Engineering Research Institute for Smart Energy(RISE)Guangdong-Hong Kong-Macao(GHM)Joint Laboratory for Photonic-Thermal-Electrical Energy Materials and DevicesThe Hong Kong Polytechnic UniversityHung HomKowloonHong KongChina Department of Electrical and Computer Engineering Nazarbayev UniversityNur-SultanKazakhstan The Hong Kong Polytechnic University Shenzhen Research Institute Shenzhen 518057China Hoffmann Institute of Advanced Materials Shenzhen Polytechnic7098 Liuxian BoulevardShenzhen 518055China Department of Applied Physics The Hong Kong Polytechnic UniversityHung HomKowloonHong KongChina Department of Chemical and Biological Engineering The Hong Kong University of Science and TechnologyClear Water BayKowloonHong KongChina King Abdullah University of Science and Technology(KAUST) KAUST Solar Center(KSC)Physical Sciences and Engineering Division(PSE)Material Science and Engineering Program(MSE)Thuwal 23955-6900Kingdom of Saudi Arabia Department of Physics The Chinese University of Hong KongShatin 999077 Hong KongChina Center of Super-Diamond and Advanced Films(COSDAF) Department of ChemistryCity University of Hong KongHong KongChina

The benchmark tin oxide(SnO_(2))electron transporting layers(ETLs)have enabled remarkable progress in planar perovskite solar cell(PSCs).However,the energy loss is still a challenge due to the lack of“hidden interface”*** report a novel ligand-tailored ultrafine SnO_(2) quantum dots(QDs)via a facile rapid room temperature ***,the ligand-tailored SnO_(2) QDs ETL with multi-functional terminal groups in situ refines the buried interfaces with both the perovskite and transparent electrode via enhanced interface binding and perovskite *** novel ETLs induce synergistic effects of physical and chemical interfacial modulation and preferred perovskite crystallization-directing,delivering reduced interface defects,suppressed non-radiative recombination and elongated charge carrier *** conversion efficiency(PCE)of 23.02%(0.04 cm^(2))and 21.6%(0.98 cm^(2),V_(OC) loss:0.336 V)have been achieved for the blade-coated PSCs(1.54 eV E_(g))with our new ETLs,representing a record for SnO_(2) based blade-coated ***,a substantially enhanced PCE(V_(OC))from 20.4%(1.15 V)to 22.8%(1.24 V,90 mV higher V_(OC),0.04 cm^(2) device)in the blade-coated 1.61 eV PSCs system,via replacing the benchmark commercial colloidal SnO_(2) with our new ETLs.

关键词： perovskite interface quantum

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Estimation of the main air pollutants from different biomasses under combustion atmospheres by artificial neural networks

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Chemosphere 2024年 352卷 141484页

作者： Monteiro, Thalyssa Oliveira Alves, Pedro Augusto Araújo da Silva de Almeida Nava Barradas Filho, Alex Oliveira Villa-Vélez, Harvey Alexander Cruz, Glauber Postgraduate Program in Mechanical Engineering (PPGMEC) Department of Mechanics and Materials Federal Institute of Education Science and Technology of Maranhão (IFMA) Maranhão São Luís Brazil Postgraduate Program in Computer Science and Computational Mathematics (PPG-CCMC) Department of Computer Science University of São Paulo (USP) São Carlos São Paulo Brazil Data Analysis and Artificial Intelligence Laboratory (DARTi) Department of Computational Engineering Federal University of Maranhão (UFMA) Maranhão São Luís Brazil Department of Chemical Engineering Federal University of Maranhão (UFMA) Maranhão São Luís Brazil Processes and Thermal Systems Laboratory (LPSisTer) Department of Mechanical Engineering Federal University of Maranhão (UFMA) Maranhão São Luís Brazil

The production of biofuels to be used as bioenergy under combustion processes generates some gaseous emissions (CO, CO2, NOx, SOx, and other pollutants), affecting living organisms and requiring careful assessments. H... 详细信息

The production of biofuels to be used as bioenergy under combustion processes generates some gaseous emissions (CO, CO₂, NO_x, SO_x, and other pollutants), affecting living organisms and requiring careful assessments. However, obtaining such information experimentally for data evaluation is costly and time-consuming and its in situ obtaining for regional biomasses (e.g., those from Northeast Brazil (NEB) is still a major challenge. This paper reports on the application of artificial neural networks (ANNs) for the prediction of the main air pollutants (CO, CO₂, NO, and SO₂) produced during the direct biomass combustion (N₂/O₂:80/20%) with the use of ultimate analysis (carbon, hydrogen, nitrogen, sulfur, and oxygen). 116 worldwide biomasses were used as input data, which is a relevant alternative to overcome the lack of experimental resources in NEB and obtain such information. Cross-validation was conducted with k-fold to optimize the ANNs and performance was analyzed with the use of statistical errors for accuracy assessments. The results showed an acceptable statistical performance for all architectures of ANNs, with 0.001–12.41% MAPE, 0.001–5.82 mg Nm⁻³ MAE, and 0.03–52.30 mg Nm⁻³ RMSE, highlighting the high precision of the emissions studied. On average, the differences between predicted and real values for CO, CO₂, NO, and SO₂ emissions from NEB biomasses were approximately 0.01%, 10⁻⁶%, 0.14%, and 0.05%, respectively. Pearson coefficient provided consistent results of concentration of the ultimate analysis in relation to the emissions studied and effectiveness of the test set in the developed models. © 2024 Elsevier Ltd

关键词： Brazilian northeastern Environmental statistics Evaluation metrics Gaseous emissions Predictive models Thermoconversion

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First documented evidence of mesoplastic pollution in the Philippines: The case of the sandy beaches in Iligan City

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Regional Studies in Marine Science 2024年 75卷

作者： Bacosa, Hernando P. Perpetua, Zy D. Aron, Jemwel B. Bondaug, John Christian S. Cui, Vincent T. Imperial, John Earl Monera, Caryl Mae M. Villariaz, Jay-ar Gabriel, Aiza D. Mayol, Andres Philip Shiu, Ruei-Feng Environmental Science Graduate Program Department of Biological Sciences College of Science and Mathematics Mindanao State University-Iligan Institute of Technology Iligan 9200 Philippines Chemical Engineering Department University of San Agustin Iloilo 5000 Philippines Mindanao State University- Main Campus Sindangan Extension Zamboanga del Norte Sindangan 7100 Philippines Department of Chemical Engineering Mindanao State University-Main Campus Lanao del Sur Marawi 9700 Philippines Department of Mathematics and Natural Sciences College of Arts and Sciences North Eastern Mindanao State University-Tandag Campus Surigao del Sur Tandag 8300 Philippines Department of Manufacturing Engineering and Management Gokongwei College of Engineering De La Salle University Manila Taft Avenue 2401 Philippines Institute of Marine Environment and Ecology National Taiwan Ocean University Keelung 202301 Taiwan Center of Excellence for the Oceans National Taiwan Ocean University Keelung 202301 Taiwan

The problem of marine plastic pollution is multifaceted and a substantial threat to the environment and human well-being. Despite being a leading marine plastic contributor in the world, the prevalence of mesoplastics in the Philippines is yet to be ascertained. The study aimed to quantify and characterize the mesoplastics on the 10 sandy beaches (inside and outside the city center) of Iligan City, Philippines. Samples were extracted, quantified, and characterized based on their morphology and chemical composition. A total of 166 mesoplastics were collected from the ten sampling sites. Fragment mesoplastics accounted for 66.9 % of the plastic debris found across all sites, with sizes in the range of 21–25 mm (31.3 %), and white/transparent (31.1 %) being predominant. Attenuated total reflectance–Fourier transform infrared (ATR–FTIR) spectroscopy identified polyethylene, polyethylene terephthalate, and polypropylene as the dominant mesoplastic polymer. We also found that mesoplastics were significantly more abundant on beaches within the city center (39.67 ± 3.11 items/m²) than on beaches away from the city center (13.02 ± 1.80 items/m²). This study provides a useful baseline of information on mesoplastic distributions in densely populated urban areas. Our results suggest that there is a pressing need to strengthen existing policies on solid waste management and develop new strategies to mitigate plastic pollution. Addressing this issue is of utmost importance considering the potentially harmful effects of mesoplastics on marine organisms and ecosystems. To the best of our knowledge, this is the first report on mesoplastic pollution in the Philippines. © 2024 Elsevier B.V.

关键词： Beach litter City center Coastal barangay Marine plastic litter Plastic pollution

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The effect of different In2O3(111) surface terminations on CO2 adsorption

arXiv

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arXiv 2023年

作者： Gericke, Sabrina M. Kauppinen, Minttu M. Wagner, Margareta Riva, Michele Franceschi, Giada Posada-Borbón, Alvaro Rämisch, Lisa Pfaff, Sebastian Rheinfrank, Erik Imre, Alexander M. Preobrajenski, Alexei B. Appelfeller, Stephan Blomberg, Sara Merte, Lindsay R. Zetterberg, Johan Diebold, Ulrike Grönbeck, Henrik Lundgren, Edvin Division of Combustion Physics Lund University Lund221 00 Sweden Department of Physics Competence Centre for Catalysis Chalmers University of Technology Göteborg412 96 Sweden Institute of Applied Physics TU Wien Vienna1040 Austria MAX IV Laboratory Lund University Lund221 00 Sweden Department of Chemical Engineering Lund University Lund221 00 Sweden Department of Materials Science and Applied Mathematics Malmö University Malmö205 06 Sweden Division of Synchrotron Radiation Research Lund University Lund221 00 Sweden

In2O3-based catalysts have shown high activity and selectivity for CO2 hydrogenation to methanol, however the origin of the high performance of In2O3 is still unclear. To elucidate the initial steps of CO2 hydrogenation over In2O3, we have combined X-ray Photoelectron Spectroscopy (XPS) and Density Functional Theory (DFT) calculations to study the adsorption of CO2 on the In2O3(111) crystalline surface with different terminations, namely the stoichiometric, the reduced, and the hydroxylated surface, respectively. The combined approach confirms that the reduction of the surface results in the formation of In ad-atoms and that water dissociates on the surface at room temperature. A comparison of the experimental spectra and the computed core-level-shifts (using methanol and formic acid as benchmark molecules) suggests that CO2 adsorbs as a carbonate on all surface terminations. We find that CO2 adsorption is hindered by hydroxyl groups on the hydroxylated surface. Copyright © 2023, The Authors. All rights reserved.

关键词： Catalysis

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Deep potentials for materials science

材料展望（英文）

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材料展望（英文） 2022年第2期 89-115页

作者： Tongqi Wen Linfeng Zhang Han Wang Weinan E David J Srolovitz Department of Mechanical Engineering The University of Hong KongHong KongHong Kong Special Administrative Region of China DP Technology BeijingPeople's Republic of China AI for Science Institute BeijingPeople's Republic of China Laboratory of Computational Physics Institute of Applied Physics and Computational MathematicsBeijingPeople's Republic of China HEDPS CAPTCollege of EngineeringPeking UniversityBeijingPeople's Republic of China AI for Science Institute BeijingPeople's Republic of China School of Mathematical Sciences Peking UniversityBeijingPeople's Republic of China Department of Mathematics and Program in Applied and Computational Mathematics Princeton UniversityPrincetonNJUnited States of America Department of Mechanical Engineering The University of Hong KongHong KongHong Kong Special Administrative Region of China International Digital Economy Academy(IDEA) ShenzhenPeople's Republic of China

To fill the gap between accurate(and expensive)ab initio calculations and efficient atomistic simulations based on empirical interatomic potentials,a new class of descriptions of atomic interactions has emerged and been widely applied;*** learning potentials(MLPs).One recently developed type of MLP is the deep potential(DP)*** this review,we provide an introduction to DP methods in computational materials *** theory underlying the DP method is presented along with a step-by-step introduction to their development and *** also review materials applications of DPs in a wide range of materials *** DP Library provides a platform for the development of DPs and a database of extant *** discuss the accuracy and efficiency of DPs compared with ab initio methods and empirical potentials.

关键词： deep potential atomistic simulation machine learning potential neural network

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On certain counting polynomial of titanium dioxide nanotubes

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Nanoscience and Nanotechnology - Asia 2019年第2期9卷 240-243页

作者： Prabhu, S. Arulperumjothi, M. Murugan, G. Dhinesh, V.M. Kumar, J.P. Department of Applied Mathematics Sri Venkateswara College of Engineering Sriperumbudur 602 117 India Department of Mathematics Ethiraj College for Women Chennai600 008 India Department of Mathematics Chendu College of Engineering and Technology Madurantakam 603 311 India Department of Chemical Engineering Sri Venkateswara College of Engineering Sriperumbudur 602 117 India

Background: In 1936, Polya introduced the concept of a counting polynomial in chemistry. However, the subject established little attention from chemists for some decades even though the spectra of the characteristic polynomial of graphs were considered extensively by numerical means in order to obtain the molecular orbitals of unsaturated hydrocarbons. Counting polynomial is a sequence representation of a topological stuff so that the exponents precise the magnitude of its partitions while the coefficients are correlated to the occurrence of these partitions. Counting polynomials play a vital role in topological description of bipartite structures as well as counts of equidistant and non-equidistant edges in graphs. Omega, Sadhana, PI polynomials are wide examples of counting polynomials. Methods: Mathematical chemistry is a division of abstract chemistry in which we debate and forecast the chemical structure by using mathematical models. chemical graph theory is a subdivision of mathematical chemistry in which the structure of a chemical compound can be embodied by a labelled graph whose vertices are atoms and edges are covalent bonds between the atoms. We use graph theoretic technique in finding the counting polynomials of TiO2 nanotubes. Let G be the molecular graph of TiO2. Then (G, x) = nx10mn+8n−2m−2 + (2m +1) x10mn+8n−2n + 2(m + 1)10mn+8n−2 Results: In this paper, the omega, Sadhana and PI counting polynomials are studied. These polynomials are useful in determining the omega, Sadhana and PI topological indices which play an important role in studies of Quantitative structure-activity relationship (QSAR) and Quantitative structure-property relationship (QSPR) which are used to predict the biological activities and properties of chemical compounds. Conclusion: These counting polynomials play an important role in topological description of bipartite structures as well as counts equidistance and non-equidistance edges in graphs. Computing distance-counting polyn

关键词： Polynomials

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Developing a medical artificial intelligence course for high school students

Developing a medical artificial intelligence course for high...

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International Forum on Medical Imaging in Asia 2021, IFMIA 2021

作者： Huang, Chao-Jung Wu, Tinghui Lu, Jui-Ting Lin, Beatrice Chang, Dawei Wang, Pochuan Wang, Mei-Chi Lee, Peijung Wang, Weichung National Taiwan University-Stanford Joint Program Office of AI in Biotechnology Ministry of Science and Technology Joint Research Center for Artificial Intelligence Technology and All Vista Healthcare Taipei Taiwan Institute of Applied Mathematical Sciences National Taiwan University Taipei Taiwan Department of Mathematics Ecole Normale Supérieure de Lyon Lyon France Department of Computer Science and Information Engineering National Taiwan University Taipei Taiwan Department of Electronic and Computer Engineering National Taiwan University of Science and Technology Taipei Taiwan Department of Mathematics National Taiwan University Taipei Taiwan

ISBN: (数字)9781510644212

ISBN: (纸本)9781510644205

Artificial intelligence (AI) training courses often require prerequisites such as calculus or statistics. It is hence challenging to design and develop an introductory AI course for students of secondary education. This research intends to develop a medical AI course, provide high school students with an overview of deep learning applications in medical image analysis, and inspire them to pursue careers in the field of medical AI. We designed a 20-hour course, including lectures and two hands-on projects based on medical image classification. The proposed courses provided medical AI disciplines and built up their knowledge from basic to advanced levels. During the ten-day online courses, all the students were fully engaged and gave us positive feedback. The students endeavored to complete the experimental study in training, testing, and hypothesis of medical images application in the course. Their performance exceeded all expectations, for they did further analysis by tuning different hyperparameters. We designed a course evaluation form, which suggested that the students found it essential and expected to interact with the instructors. The results indicate that combining lectures with hands-on sessions would lead to evidently better achievement in terms of high school students' medical AI knowledge and positive attitudes while addressing real-world problems in the projects. Through this innovative education model, high school students regained their enthusiasm and were encouraged to cultivate their medical AI skills through self-learning while finishing the project. We conclude that this course could be successfully applied to interdisciplinary education in high school. © 2021 SPIE.

关键词： Students

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Deterministic Global Optimization of the Acquisition Function in Bayesian Optimization: To Do or Not To Do?

arXiv

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arXiv 2025年

作者： Georgiou, Anastasia Jungen, Daniel Kaven, Luise Hunstig, Verena Frangakis, Constantine Kevrekidis, Ioannis Mitsos, Alexander Chemical & Biomolecular Engineering Johns Hopkins University BaltimoreMD21218 United States RWTH Aachen University Aachen Germany Department of Biostatistics Bloomberg School of Public Health Johns Hopkins University BaltimoreMD21218 United States Department of Medicine Johns Hopkins University BaltimoreMD21218 United States Applied Mathematics & Statistics Johns Hopkins University BaltimoreMD21218 United States JARA-CSD Aachen52056 Germany Forschungszentrum Jülich GmbH Jülich52425 Germany

Bayesian Optimization (BO) with Gaussian Processes relies on optimizing an acquisition function to determine sampling. We investigate the advantages and disadvantages of using a deterministic global solver (MAiNGO) compared to conventional local and stochastic global solvers (L-BFGS-B and multi-start, respectively) for the optimization of the acquisition function. For CPU efficiency, we set a time limit for MAiNGO, taking the best point as optimal. We perform repeated numerical experiments, initially using the Müller-Brown potential as a benchmark function, utilizing the lower confidence bound acquisition function;we further validate our findings with three alternative benchmark functions. Statistical analysis reveals that when the acquisition function is more exploitative (as opposed to exploratory), BO with MAiNGO converges in fewer iterations than with the local solvers. However, when the dataset lacks diversity, or when the acquisition function is overly exploitative, BO with MAiNGO, compared to the local solvers, is more likely to converge to a local rather than a globally near-optimal solution of the black-box function. L-BFGS-B and multi-start mitigate this risk in BO by introducing stochasticity in the selection of the next sampling point, which enhances the exploration of uncharted regions in the search space and reduces dependence on acquisition function hyperparameters. Ultimately, suboptimal optimization of poorly chosen acquisition functions may be preferable to their optimal solution. When the acquisition function is more exploratory, BO with MAiNGO, multi-start, and L-BFGS-B achieve comparable probabilities of convergence to a globally near-optimal solution (although BO with MAiNGO may require more iterations to converge under these conditions). © 2025, CC BY.

关键词： Stochastic systems

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Improving student's complex problem solving through LAPS-Talk-Ball learning integrated with interactive games 10

Improving student's complex problem solving through LAPS-Tal...

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10th International Conference and Workshop on High Dimensional Data Analysis, ICW-HDDA 2020

作者： Asfar, A.M.I.T. Asfar, A.M.I.A. Sulastri, S. Department of Mathematics Education STKIP Muhammadiyah Bone Abu Dg.Pasolong Street No.62 Watampone Indonesia Doctoral Program Science Education Universitas Negeri Makassar Bonto Langkasa street Makassar Indonesia Department of Chemical Engineering State Polytechnic of Ujung Pandang Tamalanrea Makassar Indonesia Department of Economics Education STKIP Muhammadiyah Bone Abu Dg.Pasolong Street No.62 Watampone Indonesia

One of the competencies needed currently is non-routine competency in solving a complex problem. Students with complex problem solving will be able to identify the complex problem, understand to review related information, and create solutions for the problems. However, the improvement of complex problem-solving abilities lacks attention. This phenomenon occurs when students are given problem-solving, students have not been able to understand the problem, plan solutions, and provide solutions to problems. To overcome these problems, the LAPS-Talk-Ball learning model integrated with interactive games that guide the students in solving problems was implemented by using interactive games and speech balloons to stimulate each student to express their ideas. This research is quantitative experimental research to determine the success of the LAPS-Talk-Ball learning model integrated with android-based interactive games in training complex problem-solving students using saturated sampling and non-equivalent control group research designs. From the results of gain test results high improvement category, which means that the LAPS-Talk-Ball learning model integrated with android-based interactive games can train the complex problem-solving abilities of students. © 2021 Institute of Physics Publishing. All rights reserved.

关键词： Students

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Direct numerical simulations of turbulent jets: vortex-interface-surfactant interactions

arXiv

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arXiv 2022年

作者： Constante-Amores, C.R. Abadie, T. Kahouadji, L. Shin, S. Chergui, J. Juric, D. Castrejon-Pita, A.A. Matar, O.K. Department of Chemical Engineering Imperial College London LondonSW7 2AZ United Kingdom Department of Engineering Science University of Oxford OxfordOX1 3PJ United Kingdom Department of Mechanical and System Design Engineering Hongik University Korea Republic of Orsay91400 France Department of Applied Mathematics and Theoretical Physics University of Cambridge CambridgeCB3 0WA United Kingdom

We study the effect of insoluble surfactants on the spatio-temporal evolution of turbulent jets. We use three-dimensional numerical simulations and employ an interface-tracking/level-set method that accounts for surfactant-induced Marangoni stresses. The present study builds on our previous work (Constante-Amores et al., 2021, J. Fluid Mech., 922, A6) in which we examined in detail the vortex-surface interaction in the absence of surfactants. Numerical solutions are obtained for a wide range of Weber and elasticity numbers in which vorticity production is generated by surface deformation and surfactant-induced Marangoni stresses. The present work demonstrates, for the first time, the crucial role of Marangoni stresses, brought about by surfactant concentration gradients, in the formation of coherent, hairpin-like vortex structures. These structures have a profound influence on the development of the three-dimensional interfacial dynamics. We also present theoretical expressions for the mechanisms that influence the rate of production of circulation in the presence of surfactants for a general, three-dimensional, two-phase flow and highlight the dominant contribution surfactant-induced Marangoni stresses. © 2022, CC BY.

关键词： Surface active agents

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