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Recent progress in MnBi2nTe3n+1 intrinsic magnetic topological insulators: crystal growth, magnetism and chemical disorder

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National science Review 2024年第2期11卷 65-80页

作者： Chaowei Hu Tiema Qian Ni Ni department of Physics and Astronomy and California Nano systems Institute University of California-Los Angeles

The search for magnetic topological materials has been at the forefront of condensed matter research for their potential to host exotic states such as axion insulators, magnetic Weyl semimetals, Chern insulators,etc. To date, the MnBi2nTe3n+1family is the only group of materials showcasing van der Waals-layered structures, intrinsic magnetism and non-trivial band topology without trivial bands at the Fermi level. The interplay between magnetism and band topology in this family has led to the proposal of various topological phenomena, including the quantum anomalous Hall effect, quantum spin Hall effect and quantum magnetoelectric effect. Among these, the quantum anomalous Hall effect has been experimentally observed at record-high temperatures, highlighting the unprecedented potential of this family of materials in fundamental science and technological innovation. In this paper, we provide a comprehensive review of the research progress in this intrinsic magnetic topological insulator family, with a focus on single-crystal growth, characterization of chemical disorder, manipulation of magnetism through chemical su.s.itution and external pressure, and important qu.s.ions that remain to be conclusively answered.

关键词： MnBi2Te4 magnetic topological insulator magnetism tuning antiferromagnetism ferromagnetism pressure chemical doping

Enhancing Direct Electrochemical CO2 Electrolysis by Introducing A-site Deficiency for the Dual-Phase Pr（Ca）Fe（Ni）O3-δ Cathode

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energy & Environmental Materials 2024年第05期7卷 210-218页

作者： Wanhua Wang Haixia Li Ka-Young Park Taehee Lee Dong Ding Fanglin Chen department of Mechanical Engineering University of South Carolina energy & Environmental science and Technology Idaho National Laboratory

High-temperature CO2electrolysis via solid oxide electrolysis cells (CO2-sOECs) has drawn special attention due to the high energy convention efficiency,fast electrode kinetics,and great potential in carbon ***,the development of cathode materials with high catalytic activity and chemical stability for pure CO2electrolysis is still a great *** this work,A-site cation deficient dual-phase material,namely(Pr0.4Ca0.6)xFe0.8Ni0.2O3-δ（PCFN,x=1,0.95,and 0.9）,has been designed as the fuel electrode for a pure CO2-sOEC,which presents superior electrochemical *** all these compositions,(Pr0.4Ca0.6)0.95Fe0.8Ni0.2O3-δ（PCFN95） exhibited the lowest polarization resistance of 0.458Ωcm2at open-circuit voltage and 800℃.The application of PCFN95 as the cathode in a single cell yields an impressive electrolysis current density of 1.76 A cm-2at 1.5 V and 800℃,which is76%higher than that of single cells with stoichiometric Pr0.4Ca0.6Fe0.8Ni0.2O3-δ（PCFN100） *** effects of A-site deficiency on materials'phase structure and physicochemical properties are also systematically *** an enhancement in electrochemical performance is attributed to the promotion of effective CO2adsorption,as well as the improved electrode kinetics resulting from the A-site deficiency.

关键词： A-site deficiency cathode material CO2 adsorption direct CO2 electrolysis solid oxide electrolysis cells

Applications of artificial intelligence in geothermal resource exploration: A review

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Deep underground science and Engineering 2024年第3期3卷 269-285页

作者： Mahmoud AlGaiar Mamdud Hossain Andrei Petrovski Aref Lashin Nadimul Faisal school of Engineering Robert Gordon UniversityAberdeenUK National su.s.a Centre AberdeenUK Petroleum and Natural Gas Engineering department College of EngineeringKing Saud UniversityRiyadhSaudi Arabia

Artificial intelligence (AI) has become increasingly important in geothermal exploration,significantly improving the efficiency of resource *** review examines current AI applications,focusing on the algorithms used,the challenges addressed,and the opportunities *** addition,the review highlights the growth of machine learning applications in geothermal exploration over the past decade,demonstrating how AI has improved the analysis of su.s.rface data to identify potential *** techniqu.s.such as neural networks,support vector machines,and decision trees are used to estimate su.s.rface temperatures,predict rock and fluid properties,and identify optimal drilling *** particular,neural networks are the most widely used technique,further contributing to improved exploration ***,the widespread adoption of AI in geothermal exploration is hindered by challenges,such as data accessibility,data quality,and the need for tailored data science training for industry ***,the review emphasizes the importance of data engineering methodologies,data scaling,and standardization to enable the development of accurate and generalizable AI models for geothermal *** is concluded that the integration of AI into geothermal exploration holds great promise for accelerating the development of geothermal energy *** effectively addressing key challenges and leveraging AI technologies,the geothermal industry can unlock cost‐effective and sustainable power generation opportunities.

关键词： artificial intelligence geothermal energy geothermal exploration geothermometry hidden/blind geothermal resources machine learning

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Physics-constrained graph modeling for building thermal dynamics

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energy and AI 2024年第2期16卷 150-157页

作者： Ziyao Yang Amol D.Gaidhane Ján Drgoňa Vikas Chandan Mahantesh M.Halappanavar Frank Liu Yu Cao school of Electrical Computer and Energy EngineeringArizona State UniversityTempeAZ 85287USA Pacific Northwest National Laboratory RichlandWA 99354USA Oak Ridge National Laboratory Oak RidgeTN 37830USA

In this paper,we propose a graph model embedded with compact physical equations for modeling the thermal dynamics of *** principles of heat flow across various components in the building,such as walls and doors,fit the message-passing strategy used by Graph Neural networks(GNNs).The proposed method is to represent the multi-zone building as a graph,in which only zones are considered as nodes,and any heat flow between zones is modeled as an edge based on prior knowledge of the building ***,the thermal dynamics of these components are described by compact models in the *** are further employed to train model parameters from collected *** model training,our proposed method enforces physical constraints(e.g.,zone sizes and connections)on model parameters and propagates the penalty in the loss function of *** constraints are essential to ensure model robustness and *** evaluate the effectiveness of the proposed modeling approach on a realistic dataset with multiple *** results demonstrate a satisfactory accuracy in the prediction of multi-zone ***,we illustrate that the new model can reliably learn hidden physical parameters with incomplete data.

关键词： Physics-constrained learning Graph Neural Networks Compact model Building thermal dynamics

Amorphous Iridium Oxide-Integrated Anode Electrodes with ultrahigh Material utilization for Hydrogen Production at Industrial Current Densities

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Nano-Micro Letters 2024年第10期16卷 225-239页

作者： Lei Ding Kui Li Weitian Wang Zhiqiang Xie shule Yu Haoran Yu David ACullen Alex Keane Kathy Ayers Christopher BCapuano Fangyuan Liu Pu-Xian Gao Feng-Yuan Zhang department of Mechanical Aerospace and Biomedical EngineeringUniversity of TennesseeKnoxvilleTN 37996USA Oak Ridge National Lab Center for Nanophase Materials SciencesOak RidgeTN 37831USA Nel Hydrogen WallingfordCT 06492USA Institute of Materials science University of ConnecticutStorrsCT 06269USA department of Materials science and Engineering University of ConnecticutStorrsCT 06269USA

Herein,ionomer-free amorphous iridium oxide(IrO_(x))thin electrodes are first developed as highly active anodes for proton exchange membrane electrolyzer cells(PEMECs)via low-cost,environmentally friendly,and easily scalable electrodeposition at room *** with a Nafion 117 membrane,the IrO_(x)-integrated electrode with an ultralow loading of 0.075 mg cm^(-2)delivers a high cell efficiency of about 90%,achieving more than 96%catalyst savings and 42-fold higher catalyst utilization compared to commercial catalyst-coated membrane(2 mg cm^(-2)).Additionally,the IrO_(x)electrode demonstrates superior performance,higher catalyst utilization and significantly simplified fabrication with easy scalability compared with the most previously reported ***,the remarkable performance could be mainly due to the amorphous phase property,sufficient Ir^(3+)content,and rich surface hydroxide grou.s.in ***,due to the high activity,high cell efficiency,an economical,greatly simplified and easily scalable fabrication process,and ultrahigh material utilization,the IrO_(x)electrode shows great potential to be applied in industry and accelerates the commercialization of PEMECs and renewable energy evolution.

关键词： Ionomer-free Amorphous IrOx electrodes ultrahigh material utilization scalable electrodeposition Hydrogen production

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A MOF built on 8-connected Y3 nodes demonstrates simultaneous reverse adsorptive separation: ethane over ethylene and propane over propylene

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science China Chemistry 2024年第11期67卷 3657-3661页

作者： Lu-Lu Ma Jiaqi Liu Kang Zhou Zixuan Cao Jiafeng Miao Guo-Ping Yang Yao-Yu Wang Jing Li Hao Wang Key Laboratory of synthetic and Natural Functional Molecule Chemistry of the Ministry of Education Shaanxi Key Laboratory of PhysicoInorganic Chemistry College of Chemistry & Materials Science Northwest University Hoffmann Institute of Advanced Materials Shenzhen Polytechnic University shenzhen senior High school department of Chemistry and Chemical Biology Rutgers University

selective adsorption of paraffins over olefins（mostly C2 and C3） by porous solids could offer tremendous advantages for the purification of olefins, which is, however, challenging as it has stringent requirements on the pore dimensions and pore surface chemistry of the adsorbent. We report here a metal-organic framework（MOF） with novel topology, Y3（μ3-OH）(TCMPB)2(denoted as HIAM-316, TCMPB4-= 1,2,4,5-tetra（4-carboxy-3-methylphenyl）benzene), which shows reversed separation of C2H6/C2H4and C3H8/C3H6simultaneously. The ideal adsorbed solution theory（IAsT） selectivities for equimolar binary mixtures of C2H6/C2H4and C3H8/C3H6were calculated to be 1.67 and 1.23 at 1 bar and 298 K for HIAM-316. Its capability of removing paraffines from paraffin/olefin mixtures is validated by breakthrough measurements. Molecular simulations reveal that the preferential adsorption of paraffins over olefins by HIAM-316 may be attributed to the abundant carboxylate oxygen atoms along its channel.

关键词： metal-organic framework adsorption separation

范德华体系以外配位化合物的自旋轨道耦合研究:决定^(2)P_(3/2)态进一步裂分的关键因素

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Chinese Journal of Chemical Physics 2024年第2期37卷 295-302,I0002-I0004,I0103页

作者：曹文锦王学斌美国西北太平洋国家实验室物理科学系里奇兰99352

本文报道了一项联合光电子能谱和理论计算的研究,探索碘原子与氩原子、氢氟酸、甲酸/乙酸、甘氨酸/甲基化甘氨酸衍生物等分子结合形成的配位化合物中的自旋轨道耦合现象.L.I^(-)(L=甲酸/乙酸化合物的低温光电子谱都呈现了三个清晰分辨... 详细信息

本文报道了一项联合光电子能谱和理论计算的研究,探索碘原子与氩原子、氢氟酸、甲酸/乙酸、甘氨酸/甲基化甘氨酸衍生物等分子结合形成的配位化合物中的自旋轨道耦合现象.L.I^(-)(L=甲酸/乙酸化合物的低温光电子谱都呈现了三个清晰分辨的波峰,标识了三个自旋轨道耦合态的存在:分别为相应中性化合物中的X(1/2)、A(3/2)和B(1/2)态.X和A态的间距△E_(XA)都为0.10eV,而X和B态的间距△E_(XB)则分别为0.98和0.97eV.本文测得的裂分间距值与先前报道的不同的L·I^(·)(L=氩原子、氢氟酸、甘氨酸和甲基化甘氨酸)的值进行了比较,从而得出了涵盖以范德华力和由弱至强的氢键等多样的分子间相互作用为主导的化合物的自旋轨道耦合裂分规律:尽管不同类型化合物的△E_(XB)比较相似,但△E_(XA)对于配体类型和相互作用类型极其敏感,其数值范围涵盖了从5meV到150meV的跨度.总体而言,实验测得的自旋轨道耦合裂分间距与通过量子化学计算所得数值高度吻合,表明了△E_(XA)的大小与中性化合物的分子间相互作用强度成正相关而与键长成反比.

关键词：自旋轨道耦合光电子能谱氢键配位化合物

Microchannel reactive distillation for the conversion of aqueous ethanol to ethylene

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Journal of energy Chemistry 2024年第11期 481-493页

作者： Johnny saavedra-Lopez stephen D.Davidson Paul H.Humble Dan R.Bottenus Vanessa Lebarbier Dagle Yuan Jiang Charles J.Freeman Ward E.Te Grotenhu.s.Robert A.Dagle Pacific Northwest National Laboratory

Here we demonstrate the proof-of-concept for microchannel reactive distillation for alcohol-to-jet application:combining ethanol/water separation and ethanol dehydration in one unit *** is first distilled into the vapor phase,converted to ethylene and water,and then the water co-product is condensed to shift the reaction *** intensification is achieved through rapid mass transfer-ethanol stripping from thin wicks using novel microchannel architectures-leading to lower residence time and improved separation *** savings are realized with integration of unit *** example,heat of condensing water can offset vaporizing ***,the dehydration reaction equilibrium shifts towards completion by immediate removal of the water byproduct upon formation while maintaining aqueous feedstock in the condensed *** aqueous ethanol feedstock（40%w）,71% ethanol conversion with 91% selectivity to ethylene was demonstrated at 220℃,600psig,and 0.28 h-1wt hour space velocity.2.7 stages of separation were also demonstrated,under these conditions,using a device length of 8.3 *** provides a height equivalent of a theoretical plate（HETP）,a measure of separation efficiency,of ～3.3 *** comparison,conventional distillation packing provides an HETP of ～30 ***,9,1 × reduction in HETP was demonstrated over conventional technology,providing a means for significant energy savings and an example of process ***,preliminary process economic analysis indicates that by using microchannel reactive distillation technology,the operating and capital costs for the ethanol separation and dehydration portion of an envisioned alcoholto-jet process could be reduced by at least 35% and 55%,respectively,relative to the incumbent technology,provided future improvements to microchannel reactive distillation design and operability are made.

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Characterization and Propagation of Historical and Projected Droughts in the umatilla River Basin, Oregon, usA

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Advances in Atmospheric sciences 2024年第2期41卷 247-262,I0020-I0028页

作者： sudip GAuTAM Alok sAMANTARAY Meghna BABBAR-sEBENs Meenu RAMADAs school of Civil and Construction Engineering Oregon State UniversityCorvallisOR 97331USA school of Infrastructure Indian Institute of TechnologyBhubaneswarOdisha 752050India

Climate change is expected to have long-term impacts on drought and wildfire risks in Oregon as summers continue to become warmer and drier. This paper investigates the projected changes in drought characteristics and drought propagation in the umatilla River Basin in northeastern Oregon for mid-century(2030–2059) and late-century(2070–2099) climate scenarios. Drought characteristics for projected climates were determined using downscaled CMIP5 climate datasets from ten climate models and soil and Water Assessment Tool to simulate effects on hydrologic processes. short-term(three months) drought characteristics(frequency, duration, and severity) were analyzed using four drought indices, including the standardized Precipitation Index(sPI-3), standardized Precipitation-Evapotranspiration Index(sPEI-3), standardized streamflow Index(ssI-3), and the standardized soil Moisture Index(ssMI-3). Results indicate that short-term meteorological droughts are projected to become more prevalent, with up to a 20% increase in the frequency of sPI-3drought events. short-term hydrological droughts are projected to become more frequent(average increase of 11% in frequency of ssI-3 drought events), more severe, and longer in duration(average increase of 8% for short-term droughts).similarly, short-term agricultural droughts are projected to become more frequent(average increase of 28% in frequency of ssMI-3 drought events) but slightly shorter in duration(average decrease of 4%) in the future. Historically, drought propagation time from meteorological to hydrological drought is shorter than from meteorological to agricultural drought in most sub-basins. For the projected climate scenarios, the decrease in drought propagation time will likely stress the timing and capacity of water supply in the basin for irrigation and other uses.

关键词： umatilla drought sPI sPEI ssI ssMI

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