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Hole-Selective Contact with Molecularly Tailorable Reactivity for Passivating High-Performing Inverted Perovskite Solar Cells

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CCS Chemistry 2024年第7期6卷 1654-1661页

作者： Wenlin Jiang Yingie Hu Fengzhu Li Francis R.lin Alex k-Y.jen Department of Materials Science and Engineering City University of Hong KongKowloonHong Kong China 999077 Department of Chemistry City University of Hong KongKowloonHong Kong China 999077 Hong kong Institute for Clean Energy City University of Hong KongKowloonHong Kong China 999077 State key Laboratory of Marine Pollution City University of Hong KongKowloonHong Kong China 999077

The precisely customizable attributes of self-assembled monolayers(SAMs)molecules at the atomic level hold the potential to facilitate efficient hole selection and interface passivation ***,the correlation between the exposure of passivating groups on the surface and device performance remains ***,we introduce two newly designed SAM molecules,Cbz2S and Cbz2SMe,incorporating cyclic disulfide or two flanking thiomethyls by modifying the 4,5-position of carbazole to adjust the Lewis basicity of the SAM-modified *** possessing suitable energetic alignment,Cbz2S with more-exposed sulfur atoms exhibited inferior device performance due to excessive reactivity,leading to an overpopulation of PbI2 crystallites at the buried perovskite *** contrast,the screening effect from the methyl groups of Cbz2SMe optimized SAM reactivity,exquisitely integrating buried interface passivation and hole selection ***,the champion inverted perovskite solar cell(PSC)employing Cbz2SMe achieved an impressive power conversion efficiency of 24.42%,accompanied by prolonged *** work demonstrates the feasibility of incorporating Lewis-basic passivation groups into SAM molecules and elucidates the relationship between the reactivity of SAM passivation groups and device *** findings provide valuable insights for the design of novel multifunctional SAM molecules,further advancing the performance of PSCs.

关键词： self-assembled monolayer perovskite solar cell hole-selective layer carbazole derivatives defect passivation

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Sequential good lattice point sets for computer experiments

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Science China Mathematics 2024年第9期67卷 2153-2170页

作者： Xue-Ru Zhang Yong-Dao Zhou Min-Qian Liu Dennis k.J.lin NITFID LPMC&KLMDASRSchool of Statistics and Data ScienceNankai UniversityTianjin 300071China Department of Statistics Purdue UniversityWest LafayetteIN 47907USA

Sequential Latin hypercube designs(SLHDs) have recently received great attention for computer experiments, with much of the research restricted to invariant spaces. The related systematic construction methods are inflexible, and algorithmic methods are ineffective for large designs. For designs in contracting spaces, systematic construction methods have not been investigated yet. This paper proposes a new method for constructing SLHDs via good lattice point sets in various experimental spaces. These designs are called sequential good lattice point(SGLP) sets. Moreover, we provide efficient approaches for identifying the(nearly)optimal SGLP sets under a given criterion. Combining the linear level permutation technique, we obtain a class of asymptotically optimal SLHDs in invariant spaces, where the L1-distance in each stage is either optimal or asymptotically optimal. Numerical results demonstrate that the SGLP set has a better space-filling property than the existing SLHDs in invariant spaces. It is also shown that SGLP sets have less computational complexity and more adaptability.

关键词： contracting space maximin distance nested Latin hypercube design sequential design space-fillingdesign

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Classification of aviation incident causes using LGBM with improved cross-validation

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Journal of Systems Engineering and Electronics 2024年第2期35卷 396-405页

作者： NI Xiaomei WANG Huawei CHEN lingzi lin Ruiguan School of Civil Aviation Nanjing University of Aeronautics and AstronauticsNanjing 211106China School of Aeronautical Engineering Nanjing Vocational University of Industry TechnologyNanjing 210023China

Aviation accidents are currently one of the leading causes of significant injuries and deaths worldwide. This entices researchers to investigate aircraft safety using data analysis approaches based on an advanced machine learning *** assess aviation safety and identify the causes of incidents, a classification model with light gradient boosting machine (LGBM)based on the aviation safety reporting system (ASRS) has been developed. It is improved by k-fold cross-validation with hybrid sampling model (HSCV), which may boost classification performance and maintain data balance. The results show that employing the LGBM-HSCV model can significantly improve accuracy while alleviating data imbalance. Vertical comparison with other cross-validation (CV) methods and lateral comparison with different fold times comprise the comparative approach. Aside from the comparison, two further CV approaches based on the improved method in this study are discussed:one with a different sampling and folding order, and the other with more CV. According to the assessment indices with different methods, the LGBMHSCV model proposed here is effective at detecting incident causes. The improved model for imbalanced data categorization proposed may serve as a point of reference for similar data processing, and the model’s accurate identification of civil aviation incident causes can assist to improve civil aviation safety.

关键词： aviation safety imbalance data light gradient boosting machine(LGBM) cross-validation(CV)

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The proximity between hydroxyl and single atom determines the catalytic reactivity of Rh1/CeO_(2) single-atom catalysts

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Nano Research 2024年第1期17卷 397-406页

作者： Danfeng Wu Shuyun Zhou Congcong Du Juan Li Jianyu Huang Hong-xia Shen Abhaya k.Datye Shan Jiang Jeffrey T.Miller Sen lin Haifeng Xiong State key Laboratory of Physical Chemistry of Solid Surfaces College of Chemistry and Chemical EngineeringXiamen UniversityXiamen 361005China State key Laboratory of Photocatalysis on Energy and Environment College of ChemistryFuzhou UniversityFuzhou 350002China Clean Nano Energy Center State Key Laboratory of Metastable Materials Science and TechnologyYanshan UniversityQinhuangdao 066004China College of Biology and Chemical Engineering Jiaxing UniversityJiaxing 314000China Department of Chemical&Biological Engineering University of New MexicoAlbuquerqueNM 8731-0001USA Davidson School of Chemical Engineering Purdue UniversityWest LafayetteIN 47907-2100USA Innovation Laboratory for Sciences and Technologies of Energy Materials of Fujian Province(IkkEM) Xiamen 361102China Fujian key Laboratory of Rare-earth Functional Materials Fujian Shanhai Collaborative Innovation Center of Rare-earth Functional MaterialsLongyan 366300China

The local structure of the metal single-atom site is closely related to the catalytic activity of metal single-atom catalysts(SACs).However,constructing SACs with homogeneous metal active sites is a challenge due to the surface heterogeneity of the conventional ***,we prepared two Rh1/CeO_(2)SACs(0.5Rh1/r-CeO_(2)and 0.5Rh1/c-CeO_(2),respectively)using two shaped CeO_(2)(rod and cube)exposing different facets,i.e.,CeO_(2)(111)and CeO_(2)(100).In CO oxidation reaction,the T100 of 0.5Rh1/r-CeO_(2)SACs is 120°C,while the T100 of 0.5Rh1/c-CeO_(2)SACs is as high as 200°*** in-situ CO diffuse reflectance infrared Fourier transform spectroscopy(CO-DRIFTS),we found that the proximity between OH group and Rh single atom on the plane surface plays an important role in the catalytic activity of Rh1/CeO_(2)SAC system in CO *** Rh single atom trapped at the CeO_(2)(111)crystal surface forms the Rh1(OH)adjacent species,which is not found on the CeO_(2)(100)crystal surface at room ***,during CO oxidation,the OH group far from Rh single atom on the 0.5Rh1/c-CeO_(2)disappears and forms Rh1(OH)adjacent species when the temperature is above 150°*** formation of Rh1(OH)adjacentCO intermediate in the reaction is pivotal for the excellent catalytic activity,which explains the difference in the catalytic activity of Rh single atoms on two different CeO_(2)*** formed Rh1(OH)adjacent-O-Ce structure exhibits good stability in the reducing atmosphere,maintaining the Rh atomic dispersion after CO oxidation even when pre-reduced at high temperature of 500°*** functional theory(DFT)calculations validate the unique activity and reaction path of the intermediate Rh1(OH)adjacentCO species *** work demonstrates that the proximity between metal single atom and hydroxyl can determine the formation of active intermediates to affect the catalytic performances in catalysis.

关键词： crystal plane Rh1/CeO_(2)single-atom catalyst proximity of Rh and hydroxyl coordination structure CO oxidation

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unified Classification and Rejection:A One-versus-all Framework

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Machine Intelligence Research 2024年第5期21卷 870-887页

作者： Zhen Cheng Xu-Yao Zhang Cheng-lin Liu State key Laboratory of Multimodal Artificial Intelligence Systems Institute of AutomationChinese Academy of SciencesBeijing100190China School of Artificial Intelligence University of Chinese Academy of SciencesBeijing100049China

Classifying patterns of known classes and rejecting ambiguous and novel(also called as out-of-distribution(OOD))inputs are involved in open world pattern *** neural network models usually excel in closed-set classification while perform poorly in rejecting OOD *** tackle this problem,numerous methods have been designed to perform open set recognition(OSR)or OOD rejection/detection *** methods mostly take post-training score transformation or hybrid models to ensure low scores on OOD inputs while separating known *** this paper,we attempt to build a unified framework for building open set classifiers for both classification and OOD *** formulate the open set recognition of k-known-class as a(k+1)-class classification problem with model trained on known-class samples *** decomposing the k-class problem into k one-versus-all(OVA)binary classification tasks and binding some parameters,we show that combining the scores of OVA classifiers can give(k+1)-class posterior probabilities,which enables classification and OOD rejection in a unified *** maintain the closed-set classification accuracy of the OVA trained classifier,we propose a hybrid training strategy combining OVA loss and multi-class cross-entropy *** implement the OVA framework and hybrid training strategy on the recently proposed convolutional prototype network and prototype classifier on vision transformer(ViT)*** on popular OSR and OOD detection datasets demonstrate that the proposed framework.using a single multi-class classifier,yields competitive performance in closed-set classification,OOD detection,and misclassification *** code is available at https://***/zhen-cheng121/CPN_OVA_unified.

关键词： Open set recognition out-of-distribution detection misclassification detection convolutional prototype network oneversus-all Dempster-Shafer theory of evidence

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Initial Experience of NIR-II Fluorescence Imaging-Guided Surgery in Foot and Ankle Surgery

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Engineering 2024年第9期40卷 19-27页

作者： Xiaoxiao Fan Jie Yang Huwei Ni Qiming Xia Xiaolong Liu Tianxiang Wu lin Li Paras N.Prasad Chao Liu Hui lin Jun Qian Department of General Surgery Sir Run Run Shaw HospitalSchool of MedicineZhejiang UniversityHangzhou 310016China Centre for Optical and Electromagnetic Research&International Research Center for Advanced Photonics College of Optical Science and EngineeringZhejiang UniversityHangzhou 310058China Department of Orthopedics Sir Run Run Shaw HospitalSchool of MedicineZhejiang UniversityHangzhou 310016China Institute for Lasers Photonicsand BiophotonicsDepartment of ChemistryState University of New YorkBuffaloNY 14260-3000USA Zhejiang Engineering Research Center of Cognitive Healthcare Sir Run Run Shaw HospitalSchool of MedicineZhejiang UniversityHangzhou 310016China College of Biomedical Engineering and Instrument Science Zhejiang UniversityHangzhou 310027China

Optical imaging in the second near-infrared(NIR-II;900-1880 nm)window is currently a popular research topic in the field of biomedical *** study aimed to explore the application value of NIR-II fluorescence imaging in foot and ankle surgeries.A lab-established NIR-II fluorescence surgical navigation system was developed and used to navigate foot and ankle surgeries which enabled obtaining more high-spatial-frequency information and a higher signal-to-background ratio(SBR)in NIR-II fluorescence images compared to NIR-I fluorescence images;our result demonstrates that NIR-II imaging could provide higher-contrast and larger-depth images to *** types of clinical application scenarios(diabetic foot,calcaneal fracture,and lower extremity trauma)were included in this *** the NIR-II fluorescence imaging technique,we observed the ischemic region in the diabetic foot before morphological alterations,accurately determined the boundary of the ischemic region in the surgical incision,and fully assessed the blood supply condition of the ***-II fluorescence imaging can help surgeons precisely judge surgical margins,detect ischemic lesions early,and dynamically trace the perfusion *** believe that portable and reliable NIR-II fluorescence imaging equipment and additional functional fluorescent probes can play crucial roles in precision surgery.

关键词： Second near-infrared fluorescence imaging Foot and ankle surgery Indocyanine green Imaging-guided surgery

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Solubility of iron(Ⅲ) and nickel(Ⅱ) acetylacetonates in supercritical carbon dioxide

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Chinese Journal of Chemical Engineering 2024年第1期65卷 29-34页

作者： Haixin Sun Jianlei Qi Jianfei Sun lin Li kunpeng Yu Jintao Wu Jianzhong Yin State key Laboratory of Fine Chemicals School of Chemical EngineeringDalian University of TechnologyDalian 116024China College of Chemical Engineering Inner Mongolia University of TechnologyHohhot 010051China

As a common precursor for supercritical CO_(2)(scCO_(2))deposition techniques,solubility data of organometallic complexes in scCO_(2)is crucial for the preparation of ***,metal acetylacetonates have shown great potential for the preparation of single-atom catalytic *** this study,the solubilities of iron(Ⅲ)acetylacetonate(Fe(acac)3)and nickel(Ⅱ)acetylacetonate(Ni(acac)2)were measured at the temperature from 313.15 to 333.15 k and in the pressure range of 9.5–25.2 MPa to accumulate new solubility *** was measured using a static weight loss *** semi-empirical models proposed by Chrastil and Sung et *** used to correlate the solubility data of Fe(acac)3 and Ni(acac)*** equations obtained can be used to predict the solubility of the same system in the experimental range.

关键词： Iron(III)acetylacetonate Nickel(II)acetylacetonate Supercritical carbon dioxide Solubility measurement Correlation model Phase equilibrium

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An Improved Modulation Strategy for Single-phase Three-level Neutral-point-clamped Converter in Critical Conduction Mode

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Journal of Modern Power Systems and Clean Energy 2024年第3期12卷 981-990页

作者： Ning Li Yujie Cao Xiaokang Liu Yan Zhang Ruotong Wang lin Jiang Xiao-Ping Zhang School of Electrical Engineering Xi’an University of TechnologyXi’anChina the Department of Electronics Information and BioengineeringPolitecnico di MilanoMilanItaly Xi’an Jiaotong university Xi’anChina the Department of Electrical Engineering and Electronics University of LiverpoolLiverpoolU.K. the Department of Electronic Electrical and Systems EngineeringUniversity of BirminghamBirminghamU.K.

Two-level totem-pole power factor correction(PFC)converters in critical conduction mode(CRM)suffer from the wide regulation range of switching ***,in highfrequency applications,the number of switching times increases,resulting in significant switching *** solve these issues,this paper proposes an improved modulation strategy for the single-phase three-level neutral-point-clamped(NPC)converter in CRM with *** optimizing the discharging strategy and switching state sequence,the switching frequency and its variation range have been efficiently *** detailed performance analysis is also presented regarding the switching frequency,the average switching times,and the effect of voltage gain.A 2 k W prototype is built to verify the effectiveness of the proposed modulation strategy and analysis *** with the totem-pole PFC converter,the switching frequency regulation range of the three-level PFC converter is reduced by 36.48%and the average switching times is reduced by 45.10%.The experimental result also shows a 1.2%higher efficiency for the three-level PFC converter in the full load range.

关键词： Critical conduction mode(CRM) on-board charger switching frequency range switching times power factor correction(PFC) three-level converter

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Pd Pt VO_(x)/CeO_(2)-ZrO_(2):Highly efficient catalysts with good sulfur dioxide-poisoning reversibility for the oxidative removal of ethylbenzene

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Journal of Environmental Sciences 2024年第4期138卷 153-166页

作者： Jia Wang Yuxi Liu Jiguang Deng lin Jing Xiuqing Hao Xing Zhang Xiaohui Yu Hongxing Dai Beijing key Laboratory for Green Catalysis and Separation Key Laboratory of Beijing on Regional Air Pollution ControlKey Laboratory of Advanced Functional MaterialsEducation Ministry of ChinaLaboratory of Catalysis Chemistry and NanoscienceDepartment of Chemical EngineeringFaculty of Environment and LifeBeijing University of TechnologyBeijing 100124China

The PdPtVO_(x)/CeO_(2)-ZrO_(2)(PdPtVO_(x)/CZO)catalysts were obtained by using different approaches,and their physical and chemical properties were determined by various *** activities of these materials in the presence of H_(2)O or SO_(2)were evaluated for the oxidation of ethylbenzene(EB).The PdPtVO_(x)/CZO sample exhibited high catalytic activity,good hydrothermal stability,and reversible sulfur dioxide-poisoning performance,over which the specific reaction rate at 160℃,turnover frequency at 160℃(TOF_(Pd or Pt)),and apparent activation energy were 72.6 mmol/(g_(Pt)·sec)or 124.2 mmol/(g_(Pd)·sec),14.2 sec^(-1)(TOF_(Pt))or 13.1 sec^(-1)(TOF_(Pd)),and 58 k J/mol,*** large EB adsorption capacity,good reducibility,and strong acidity contributed to the good catalytic performance of PdPtVO_(x)/*** activity of PdPtVO_(x)/CZO decreased when 50 ppm SO_(2)or(1.0 vol.%H_(2)O+50 ppm SO_(2))was added to the feedstock,but was gradually restored to its initial level after the SO_(2)was cut *** good reversible sulfur dioxide-resistant performance of PdPtVO_(x)/CZO was associated with the facts:(i)the introduction of SO_(2)leads to an increase in surface acidity;(ii)V can adsorb and activate SO_(2),thus accelerating formation of the SO_(x)^(2-)(x=3 or 4)species at the V and CZO sites,weakening the adsorption of sulfur species at the PdPt active sites,and hence protecting the PdPt active sites to be not poisoned by SO_(2).EB oxidation over PdPtVO_(x)/CZO might take place via the route of EB→styrene→phenyl methyl ketone→benzaldehyde→benzoic acid→maleic anhydride→CO_(2)and H_(2)O.

关键词： Ceria-zirconia Supported palladium-platinum-vanadium catalyst Volatile organic compound Ethylbenzene oxidation Sulfur dioxide resistance

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Overexpression of kdm6b induces testicular differentiation in a temperature-dependent sex determination system

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Zoological Research 2024年第5期45卷 1108-1115页

作者： Qiran Chen Wei Sun lin Jin Yingjie Zhou Fang Li Chutian Ge College of Biological and Environmental Sciences Zhejiang Wanli UniversityNingboZhejiang 315100China Institute of Animal Sex and Development Zhejiang Wanli UniversityNingboZhejiang 315100China

In reptiles,such as the red-eared slider turtle(Trachemys scripta elegans),gonadal sex determination is highly dependent on the environmental temperature during embryonic *** complex process,which leads to differentiation into either testes or ovaries,is governed by the finely tuned expression of upstream genes,notably the testis-promoting gene Dmrt1 and the ovary-promoting gene *** studies have identified epigenetic regulation as a crucial factor in testis development,with the H3k27me3 demethylase kDM6B being essential for Dmrt1 expression in ***,whether kDM6B alone can induce testicular differentiation remains *** this study,we found that overexpression of kdm6b in *** embryos induced the male development pathway,accompanied by a rapid increase in the gonadal expression of Dmrt1 at 31°C,a temperature typically resulting in female ***,this sex reversal could be entirely rescued by Dmrt1 *** findings demonstrate that kdm6b is sufficient for commitment to the male pathway,underscoring its role as a critical epigenetic regulator in the sex determination of the red-eared slider turtle.

关键词： Temperature-dependent sex determination Sex reversal kdm6b Dmrt1 T.s.elegans

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