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Fast Water Transport in UTSA-280 via a Knock-Off Mechanism

Angewandte Chemie 2023年第39期135卷

作者： Cheng-Hsun Hsu Hsin-Yu Yu Ho Jun Lee Pei-Hao Wu Shing-Jong Huang Jong Suk Lee Tsyr-Yan Yu Yi-Pei Li Dun-Yen Kang Department of Chemical Engineering National Taiwan University No. 1 Sec. 4 Roosevelt Road Taipei 10617 Taiwan Department of Chemical and Biomolecular Engineering Sogang University Baekbeom-ro 35 Mapo-gu Seoul 04107 Republic of Korea Institute of Atomic and Molecular Sciences Academia Sinica Taipei Taiwan Instrumentation Center National Taiwan University Taipei 10617 Taiwan Institute of Emergent Materials Sogang University 35 Baekbeom-ro Mapo-gu Seoul 04107 Republic of Korea International Graduate Program of Molecular Science and Technology (NTU-MST) National Taiwan University Taipei 10617 Taiwan Molecular Science and Technology Program Taiwan International Graduate Program (TIGP) Academia Sinica Taipei 11529 Taiwan Center of Atomic Initiative for New Materials National Taiwan University No. 1 Sec. 4 Roosevelt Road Taipei 10617 Taiwan

Water and other small molecules frequently coordinate within metal-organic frameworks (MOFs). These coordinated molecules may actively engage in mass transfer, moving together with the transport molecules, but this phenomenon has yet to be examined. In this study, we explore a unique water transfer mechanism in UTSA-280, where an incoming water molecule can displace a coordinated molecule for mass transfer. We refer to this process as the “knock-off” mechanism. Despite UTSA-280 possessing one-dimensional channels, the knock-off transport enables water movement along the other two axes, effectively simulating a pseudo-three-dimensional mass transfer. Even with a relatively narrow pore width, the knock-off mechanism enables a high water flux in the UTSA-280 membrane. The knock-off mechanism also renders UTSA-280 superior water/ethanol diffusion selectivity for pervaporation. To validate this unique mechanism, we conducted 1 H and 2 H solid-state NMR on UTSA-280 after the adsorption of deuterated water. We also derived potential energy diagrams from the density functional theory to gain atomic-level insight into the knock-off and the direct-hopping mechanisms. The simulation findings reveal that the energy barrier of the knock-off mechanism is marginally lower than the direct-hopping pathway, implying its potential role in enhancing water diffusion in UTSA-280.

关键词： Diffusion Knock-off Mechanism Membrane Metal-Organic Frameworks Water Transport

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The failure of the Classical Nucleation Theory at low temperatures resolved

arXiv

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arXiv 2019年

作者： Cassar, Daniel R. Serra, André H. Peitl, Oscar Rodrigues, Alisson M. Zanotto, Edgar D. Vitreous Materials Laboratory Department of Materials Engineering Federal University of São Carlos São Carlos SP Brazil Federal University of Sao Carlos Graduate Program in Materials Science and Engineering

A relevant observation about crystal nucleation kinetics in glass-forming substances has been a matter of intense debate for several decades. The Classical Nucleation Theory (CNT) allegedly fails to describe the temperature dependence of the homogeneous crystal nucleation rates below the temperature of maximum nucleation rate. This failure was reported for several glass-forming substances and is known as nucleation "breakdown". Some reasonable explanations for this apparent break have been advanced in the literature, however, the simplest hypothesis has never been tested: that this break is a byproduct of nucleation datasets that have not reached the steady-state regime. In this work, we tested this hypothesis by thoroughly analyzing new and published nucleation data for supercooled Li2Si2O5, BaSi2O5, Na4CaSi3O9, and Na2Ca2Si3O9liquids, using only datasets for which steady-state conditions (likely) have been reached. For that purpose, we used three restraining conditions: i) Nucleation and diffusion data were measured in the same glass batch, and each batch was individually analyzed;ii) only nucleation rate data that passed a steady-state regime test were used in the analysis;iii) the uncertainty and regression confidence bands were computed and considered. With this strategy, we proved that the alleged nucleation break is indeed an experimental artifact! This result ends a four decade-old dilemma and corroborates the use of CNT for analyses of crystal nucleation rates. Copyright © 2019, The Authors. All rights reserved.

关键词： Silicates

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Preliminary evaluation of the physical properties of red ceramic incorporated with solid residue

Preliminary evaluation of the physical properties of red cer...

引用

MRS Advances

作者： Nunes, Francine M. Rangel, Eduarda M. Machado, Fernando M. Camaratta, Rubens Cardoso, Letícia P. Nascimento, Lucas J. Program Post Graduate in Materials Science and Engineering Street Gomes Carneiro Number 1 Pelotas-RS Brazil Undergraduate in Materials Engineering United States

The food processing industry highlights the daily generation of large amounts of eggshell solid residue. In this way, this residue becomes a non renewable raw material to be reused as an additive in red ceramics, in order to reduce the volume of disposal to the environment and improve the physical properties of the product. The objective of this work was to evaluate the forming moisture, linear shrinkage of drying and shrinkage of drying burning of ceramic test pieces (CS's) with formulations with 2% and 3% of white eggshell residue (ER) incorporated in clay. The clay and ER were collected in the city of Pelotas-RS. The ER sample was analyzed by X-Ray Fluorescence (XRF) and X-Ray Diffraction (XRD). After pressing, natural and artificial drying was carried out and the CS's were burned. These were evaluated through normative parameters C-020/95, C-021/95 and C-026/95. The values obtained for the forming moisture were between 5.82 and 8.78%, for the linear shrinkage of drying between 0.10 and 0.43% and, for the linear contraction burning between -0.29 and 0.08%. The results showed that the addition of ER to the ceramic mass helped in the reduction of the forming moisture and the linear shrinkage of the ceramic test pieces. © 2018 materials Research Society.

关键词： Moisture

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Accessing the viscera: Technologies for interoception research

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Current Opinion in Neurobiology 2025年 93卷 103050-103050页

作者： Pang, Karen K.L. Mondal, Rajib Sahasrabudhe, Atharva Anikeeva, Polina Department of Brain and Cognitive Sciences Massachusetts Institute of Technology United States K. Lisa Yang Brain-Body Center Massachusetts Institute of Technology United States McGovern Institute for Brain Research Massachusetts Institute of Technology United States Research Laboratory of Electronics Massachusetts Institute of Technology United States MIT-Harvard Graduate Program in Health Sciences and Technology United States Department of Materials Science and Engineering Massachusetts Institute of Technology United States

Interoception, or the perception and regulation of body signals by the central nervous system, is critical for maintaining homeostasis and coordination of behaviors. Deciphering the mechanisms of interoception requires identifying pathways and decoding of diverse signals across the brain-body axis. These studies are enabled by tools to modulate and record physiological processes in the brain and visceral organs. While numerous advanced neurotechnologies are well-established in the brain, these techniques often offer limited utility for other organs, such as the gastrointestinal tract, heart, liver, or bladder. In this review, we highlight recent advances in technologies for recording and modulation of visceral organ physiology in small animals in vivo, with a focus on implantable bioelectronic organ interfaces that can be deployed in behaving animals. We discuss how such interfaces are made possible through innovations in materials and electronics and outline unmet technological challenges in interoception research. © 2025 Elsevier Ltd

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Bioinspired graphene-based silver nanoparticles: Fabrication, characterization and antibacterial activity

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materials Today: Proceedings 2020年 29卷 720-725页

作者： Ajay K. Potbhare Mayuri S. Umekar Prashant B. Chouke Mahendra B. Bagade S.K. Tarik Aziz Ahmed A. Abdala Ratiram G. Chaudhary Post Graduate Department of Chemistry Seth Kesarimal Porwal College of Arts Commerce and Science Kamptee 441001 India Department of Chemistry Bar Ilan Institute for Nanotechnology and Advanced Materials (BINA) Bar Ilan University Ramat-Gan 52900 Israel Chemical Engineering Program Texas A&M University at Qatar POB 23784 Doha Qatar

Herein we present a fabrication and antibacterial assays of novel silver nanoparticles (Ag NPs) on the surface of graphene oxide (GO) nanosheets as a multifunctional antibacterial material by using Pseudomonas aeruginosa biomass extract the nanocomposites has fabricated. as a synthesized material were characterized by spectroscopic technique including XRD, FTIR, EDX, Raman and TEM. XRD analysis specified the cubic crustal structure of NCs, while TEM rendered an average particle size of 25 nm of Ag-GO NCs. As a result, the fabricated Ag-GO NCs was tested against gram-positive and gram-negative strains and the results shows the Ag-GO NCs to be more effective against gram-negative bacteria ( *** ).

关键词： Graphene-based nanoparticles Ag-GO nanocomposites Pseudomonas aeruginosa Antibacterial activity

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Theoretical study on adsorption and reaction of polymeric formic acid on the Cu(111) surface

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Physical Review materials 2021年第7期5卷 075801-075801页

作者： Septia Eka Marsha Putra Fahdzi Muttaqien Yuji Hamamoto Kouji Inagaki Akitoshi Shiotari Jun Yoshinobu Yoshitada Morikawa Ikutaro Hamada Department of Precision Engineering Graduate School of Engineering Osaka University 2-1 Yamada-oka Suita Osaka 565-0871 Japan Department of Engineering Physics Institut Teknologi Sumatera Jalan Terusan Ryacudu Way Hui Jati Agung South Lampung 35365 Indonesia Instrumentation and Computational Physics Research Group Faculty of Mathematics and Natural Sciences Institut Teknologi Bandung Jalan Ganesha 10 Bandung West Java 40132 Indonesia Master Program in Computational Science Faculty of Mathematics and Natural Sciences Institut Teknologi Bandung Jalan Ganesha 10 Bandung West Java 40132 Indonesia Elements Strategy Initiative for Catalysts and Batteries (ESICB) Kyoto University Goryo-Ohara Nishikyou-ku Katsura Kyoto 615-8245 Japan Department of Advanced Materials Science The University of Tokyo 5-1-5 Kashiwanoha Kashiwa Chiba 277-8561 Japan The Institute for Solid State Physics The University of Tokyo 5-1-5 Kashiwanoha Kashiwa Chiba 277-8581 Japan Research Center for Precision Engineering Graduate School of Engineering Osaka University 2-1 Yamada-oka Suita Osaka 565-0871 Japan

We investigate the polymeric adsorption of formic acid (HCOOH) on the Cu(111) surface by means of density functional theory. We present structural models for the polymeric form of HCOOH on Cu(111) and characterize their stability, electronic, and vibrational properties. Based on the energetics and dynamics, as well as simulated scanning tunneling microscopy and atomic force microscopy images, we propose that the α polymorph is likely to be formed on the Cu(111) surface and can explain the experimental findings. We also study the initial step of the catalytic dehydrogenation of HCOOH and find that the O-H bond dissociation at the edge of the polymer is facilitated, rather than that forming hydrogen bonding, agreeing well with the experiments.

关键词： Adsorption Chemical bonding Chemical kinetics, dynamics & catalysis Electronic structure Surface & interfacial phenomena Surfaces Density functional theory First-principles calculations

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Two-Step Electronic Response to Magnetic Ordering in a van der Waals Ferromagnet

arXiv

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arXiv 2023年

作者： Wu, Han Zhu, Jian-Xin Chen, Lebing Butcher, Matthew W. Yue, Ziqin Yuan, Dongsheng He, Yu Oh, Ji Seop Huang, Jianwei Wu, Shan Gong, Cheng Guo, Yucheng Mo, Sung-Kwan Denlinger, Jonathan D. Lu, Donghui Hashimoto, Makoto Stone, Matthew B. Kolesnikov, Alexander I. Chi, Songxue Kono, Junichiro Nevidomskyy, Andriy H. Birgeneau, Robert J. Dai, Pengcheng Yi, Ming Department of Physics and Astronomy Rice Center for Quantum Materials Rice University HoustonTX77005 United States Theoretical Division Los Alamos National Laboratory Los AlamosNM87545 United States Center for Integrated Nanotechnologies Los Alamos National Laboratory Los AlamosNM87545 United States Department of Physics University of California at Berkeley BerkeleyCA94720 United States Applied Physics Graduate Program Smalley-Curl Institute Rice University HoustonTX77005 United States Materials Sciences Division Lawrence Berkeley National Laboratory BerkeleyCA94720 United States 1-1 Namiki Ibaraki Tsukuba305-0044 Japan Department of Applied Physics Yale University New HavenCT06511 United States Department of Electrical and Computer Engineering Quantum Technology Center University of Maryland College ParkMD20742 United States Advanced Light Source Lawrence Berkeley National Laboratory BerkeleyCA94720 United States Stanford Synchrotron Radiation Lightsource SLAC National Accelerator Laboratory Menlo ParkCA94025 United States Neutron Scattering Division Oak Ridge National Laboratory Oak RidgeTN37831 United States Department of Electrical and Computer Engineering Rice University HoustonTX77005 United States Smalley-Curl Institute Rice University HoustonTX77005 United States Department of Material Science and NanoEngineering Rice University HoustonTX77005 United States Department of Materials Science and Engineering University of California Berkeley United States

The two-dimensional (2D) material Cr2Ge2Te6 is a member of the class of insulating van der Waals magnets. Here, using high resolution angle-resolved photoemission spectroscopy in a detailed temperature dependence study, we identify a clear response of the electronic structure to a dimensional crossover in the form of two distinct temperature scales marking onsets of modifications in the electronic structure. Specifically, we observe Te p-orbital-dominated bands to undergo changes at the Curie transition temperature TC while the Cr d-orbital-dominated bands begin evolving at a higher temperature scale. Combined with neutron scattering, density functional theory calculations, and Monte Carlo simulations, we find that the electronic system can be consistently understood to respond sequentially to the distinct temperatures at which in-plane and out-of-plane spin correlations exceed a characteristic length scale. Our findings reveal the sensitivity of the orbital-selective electronic structure for probing the dynamical evolution of local moment correlations in vdW insulating magnets. © 2023, CC BY.

关键词： Electronic structure

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Expression of concern: Microchip-based structure determination of low-molecular weight proteins using cryo-electron microscopy

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Nanoscale 2024年第9期16卷 4919页

作者： Michael A Casasanta G M Jonaid Liam Kaylor William Y Luqiu Maria J Solares Mariah L Schroen William J Dearnaley Jarad Wilson Madeline J Dukes Deborah F Kelly Department of Biomedical Engineering Pennsylvania State University University Park PA 16802 USA. Debkelly@psu.edu. Materials Research Institute Pennsylvania State University University Park PA 16802 USA. Bioinformatics and Genomics Graduate Program Huck Institutes of the Life Sciences Pennsylvania State University University Park PA 16802 USA. Molecular Cellular and Integrative Biosciences Graduate Program Huck Institutes of the Life Sciences Pennsylvania State University University Park PA 16802 USA. Department of Electrical and Computer Engineering Duke University Durham NC 27708 USA. RayBiotech Life Peachtree Corners GA 30092 USA. Applications Science Protochips Inc. Morrisville NC 27560 USA.

Expression of concern for 'Microchip-based structure determination of low-molecular weight proteins using cryo-electron microscopy' by Michael A. Casasanta , , 2021, , 7285-7293, https://***/10.1039/D1NR00388G.

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In-situ observation of hydrogen nanobubbles formation on graphene surface by AFM-SECM

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Electrochimica Acta 2024年 493卷

作者： Kholimatussadiah, Septia Hsu, Chia-Ling Ke, Shang-Wei Chou, Tsu-Chin Wu, Yung-Fu Yakimova, Rositsa Kumatani, Akichika Chen, Kuei-Hsien Chen, Li-Chyong Du, He-Yun Department of Physics National Taiwan University Taipei 10617 Taiwan Nano Science and Technology Taiwan International Graduate Program Academia Sinica Taipei 10617 Taiwan Center for Condensed Matter Sciences National Taiwan University Taipei 10617 Taiwan Center of Atomic Initiative for New Materials National Taiwan University Taipei 10617 Taiwan Department of Chemical Engineering Ming Chi University of Technology New Taipei City24301 Taiwan Institute of Atomic and Molecular Sciences Academia Sinica Taipei 10617 Taiwan Institute of Analytical and Environmental Sciences National Tsing Hua University Hsinchu 300044 Taiwan Department of Physics Chemistry and Biology Linköping University SE-581 83 Linköping Sweden Institute of Engineering Innovation School of Engineering The University of Tokyo Tokyo 113-8656 Japan Saitama 332-0012 Japan Tohoku University Sendai980-8577 Japan Battery Research Center of Green Energy Ming Chi University of Technology New Taipei City24301 Taiwan Biochemical Technology R&D Center Ming Chi University of Technology New Taipei City24301 Taiwan Center for Sustainability and Energy Technologies Chang Gung University Taoyuan City33302 Taiwan

Gas bubble evolution is an important phenomenon in many electrochemical processes and it is highly sensitive to the surface properties. Here we visualize the gas bubble dynamics on the surface of different graphene substrates during hydrogen evolution reaction (HER) using atomic force microscopy combined with scanning electrochemical microscopy. The low overpotential and low surface hydrophobicity of few-layer graphene formed on C-phase SiC causes the uniform distribution of hydrogen nanobubbles, which easily depart from the surface during the reaction. Conversely, the high overpotential and more hydrophobic surface of HOPG induces hydrogen bubbles to linger on the surface for an extended duration, leading to its accumulation and the subsequent formation of microbubbles. This in-situ nanoscale electrochemical mapping of hydrogen bubble dynamics provides new insight into electrocatalytic HER that occurs on non-metal electrodes. © 2024 Elsevier Ltd

关键词： Graphene

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Extraction of isotropic electron-nuclear gyperfine coupling constants of paramagnetic point defects from near-zero field magnetoresistance spectra via least squares fitting to models developed from the stochastic quantum liouville equation

arXiv

引用

arXiv 2020年

作者： Frantz, Elias B. Harmon, Nicholas J. McMillan, Stephen R. Moxim, Stephen J. Flatté, Michael E. Lenahan, Patrick M. Intercollege Graduate Degree Program in Materials Science and Engineering Pennsylvania State University University ParkPA16802 United States Department of Physics University of Evansville EvansvilleIN47722 United States Department of Physics and Astronomy University of Iowa Iowa CityIA52242 United States Department of Engineering Science and Mechanics Pennsylvania State University University ParkPA16802 United States

We report on a method by which we can systematically extract spectroscopic information such as isotropic electron-nuclear hyperfine coupling constants from near-zero field magnetoresistance (NZFMR) spectra. The method utilizes a least squares fitting of models developed from the stochastic quantum Liouville equation. We applied our fitting algorithm to two distinct material systems: Si/SiO2 metal oxide field effect transistors (MOSFETs), and a-Si:H metal insulator semiconductor (MIS) capacitors. Our fitted results and hyperfine parameters are in reasonable agreement with existing knowledge of the defects present in the systems. Our work indicates that the NZFMR response and fitting of the NZFMR spectrum via models developed from the stochastic quantum Liouville equation could be a relatively simple yet powerful addition to the family of spin-based techniques used to explore the chemical and structural nature of point defects in semiconductor devices and insulators. Copyright © 2020, The Authors. All rights reserved.

关键词： Point defects

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