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Rapid Electronic Transport Channel of Co-P with Mo in a Heterostructure Embedded with P, N Dual Doped Porous Carbon for Electrocatalytic Oxygen and Hydrogen Evolution

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ChemNanoMat 2024年第7期10卷

作者： Dey, Tapan Rajput, Anubha Jhaa, Gaurav Matsagar, Babasahab M. Chen, Norman C.-R Kumar, Nitish Salunkhe, Rahul Wu, Kevin C.-W. Chakraborty, Biswarup Dutta, Saikat Electrochemical Energy & Sensor Research Laboratory Amity Institute of Click Chemistry Research & Studies Amity University Noida India Department of Chemistry Indian Institute of Technology Delhi Hauz Khas New Delhi110016 India Chemical Information Sciences Laboratory Department of Chemistry Pondicherry University Kalapet Pondicherry605014 India Department of Chemical Engineering National Taiwan University No. 1 Sec. 4 Roosevelt Road Taipei10617 Taiwan Molecular Science and Technology Program Taiwan International Graduate Program Academia Sinica Taiwan Materials Research Laboratory Department of Physics Indian Institute of Technology Jammu Jammu India Department of Chemical Engineering and Materials Science Yuan Ze University Taoyuan Chung-Li Taiwan Department of Chemical Engineering Chung Yuan Christian University No. 200 Zhongbei Rd. Zhongli Dist. Taoyuan City320 Taiwan

We developed a molybdenum (Mo)-doped cobalt (Co)-heterostructure embedded on a phosphorous (P) and nitrogen (N) dual-doped porous carbon which exhibits an intrinsic electronic transport channel of Co to Mo and P. The P,Mo,O−Co/PNC/NF (NF=Nickel foam) electrode offers 335 mV overpotential at 10 mA cm−2 in OER as compared with PMA-ZIF67-NC/NF and ZIF67-NC/NF electrode with an overpotential of 357 and 373 mV respectively. Linear sweep voltammetry (LSV) of overall water splitting (OWS) supports that the current density gradually increased at a cell potential of 1.6 V with a maximum of 40 mA with a corresponding cell potential of 1.79 V at a current density of 10 mA cm−2. Density functional theory (DFT) calculations for water adsorption on optimized [111] surface of Co, CoMo, and CoMoP2 with adsorbed H2O and corresponding lattice determine the electron density difference of [111] surface with adsorbed H2O for Eads (eV) 4.23 corresponds to adsorption energy for CoMoP2. XANE-EXAFS spectroscopy of P,Mo,O−Co/PNC at Co K edge and Mo K edge suggests the presence of higher valence of both Cox+ and Mox+ without metallic Co and Mo and Co−P and Mo−P bonds as major structural units due to phosphidation as determined by R-space FT-EXAFS spectra. © 2024 Wiley-VCH GmbH.

关键词： Cobalt

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Effects of MXenes (Ti₃C₂T_x) deposition by drop casting on the fretting wear of structural concrete

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Wear 2025年 570卷

作者： Silva, Cristiane Arpino Gonçalves, Margarete R.F. Rosenkranz, Andreas Hammes, Gisele Costa, Henara Lillian Universidade Federal de Pelotas Materials Science and Engineering Graduate Program Rua Gomes Carneiro 1 Porto RS Pelotas Brazil University of Chile Department of Chemical Engineering Biotechnology and Materials Avenida Beauchef 851 Santiago Chile Universidade Federal de Santa Catarina LabMat Rua Delfino Conti s/n. Bloco B Trindade SC Florianópolis Brazil Universidade Federal do Rio Grande School of Engineering Av. Itália km 8 Bairro Carreiros RS Rio Grande Brazil

In civil engineering, concrete is the most widely used material due to the availability of its components. Research on tribology of semi-rigid structural systems is important in civil engineering, as the initially rigid contact between concrete and metallic elements can generate micromovement, resulting in wear due to fretting and possible cracks. Recently, a new family of 2D metal carbide and nitride nanosheets called MXenes has stood out in tribological applications due to their layered structure, which provides self-lubricating and reinforcing properties, but they are costly and difficult to produce in large scale, making their use in civil engineering challenging, despite encouraging results from the literature. To overcome this, the present work proposed surface deposition of MXenes by drop-casting (involving very small amounts of Mxenes) to control fretting wear between concrete and steel. One and five applications were deposited from a dispersion at a concentration of approximately 0.4 mg/mL of MXenes in isopropanol. Fretting tests were carried out on concrete (with and without MXenes deposition) against steel counterbodies for a total stroke of 200 μm under different speeds (0.2 and 2 mm/s) and times (5 and 30 min). The results showed that the friction coefficients obtained in the fretting tests did not present a statistically significant difference when using Mxenes either as a reinforcement in the concrete or deposited by drop casting. The wear rates obtained from the fretting tests demonstrated that, for the lower speed, no significant difference could be confirmed for the modified concretes in either the 5 min or the 30 min tests. On the other hand, in the condition of speed = 2 mm/s and time = 5 min, the wear rate for one application of MXenes by dropcasting was lower than the reference. With a higher speed and 30-min test, a greater effect on the wear rate occurred, which may be the result of tribochemical effects in the contact. It is clear that, in t

关键词： Concrete Drop casting Fretting MXenes

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Influence of Grain Size on Strain-Induced Phase Transformation in a Crconi Multi-Principal Element Alloy

SSRN

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SSRN 2024年

作者： Bertoli, Gustavo Clarke, Amy J. Kaufman, Michael J. Kiminami, Claudio Shyint Gil Coury, Francisco Colorado School of Mines George S. Ansell Department of Metallurgical and Materials Engineering 1500 Illinois St. GoldenCO80401 United States Federal University of São Carlos Graduate Program in Materials Science and Engineering Rod. Washington Luis km 235 SP-310 SP São Carlos13565-905 Brazil Sigma Manufacturing Sciences Division Los Alamos National Laboratory Los AlamosNM87545 United States Federal University of São Carlos Department of Materials Engineering Rod. Washington Luis km 235 SP-310 SP São Carlos13565-905 Brazil

A Cr40Co40Ni20 (at.%) alloy with different grain sizes was analyzed through in-situ synchrotron X-ray diffraction during tensile testing. The FCC starting structure underwent a partial strain-induced transformation to HCP (TRIP effect) and the percent transformed was measured throughout the deformation. The critical stress required to form a certain HCP fraction was shown to follow a Hall-Petch relation (σ = σ0,HCP + KHCPd-0.5), with the Hall-Petch slope being approximately the same for yield stress and TRIP effect (Ky ~ KHCP ~ 650 MPa/μm-0.5). The HCP fraction and HCP formation rate are controlled by the strain level, being insensitive to grain size in terms of strain. Furthermore, this work developed a Hall-Petch-based model that correlates the applied stress, the transformed phase fraction, and the initial FCC grain size. It predicts the stress required to form a certain HCP fraction, or the fraction formed when a certain stress is applied. We also proposed a mechanism to explain the grain size dependence of the TRIP effect and discuss how the TRIP effect and its early activation in the Cr40Co40Ni20 alloy provide high work-hardening capacity, which improves ductility and toughness. Here, a refined FCC grain size (1.3 μm) was shown to increase the yield stress by at least 100% (417 → 834 MPa), compared to a coarser grain material (22.4 μm), while maintaining a high ductility of 41%. This work contributes to a better understanding of the deformation mechanisms, mainly the strain-induced phase transformation (TRIP), highlighting their impact and importance on mechanical properties. © 2024, The Authors. All rights reserved.

关键词： Ductility

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Protein folding as a jamming transition

arXiv

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arXiv 2024年

作者： Grigas, Alex T. Liu, Zhuoyi Logan, Jack A. Shattuck, Mark D. O’Hern, Corey S. Graduate Program in Computational Biology and Bioinformatics Yale University New HavenCT06520 United States Integrated Graduate Program in Physical and Engineering Biology Yale University New HavenCT06520 United States Department of Mechanical Engineering and Materials Science Yale University New HavenCT06520 United States Benjamin Levich Institute and Physics Department The City College of New York New YorkNY10031 United States Department of Physics Yale University New HavenCT06520 United States Department of Applied Physics Yale University New HavenCT06520 United States

Proteins fold to a specific functional conformation with a densely packed hydrophobic core that controls their stability. We develop a geometric, yet all-atom model for proteins that explains the universal core packing fraction of φc = 0.55 found in experimental measurements. We show that as the hydrophobic interactions increase relative to the temperature, a novel jamming transition occurs when the core packing fraction exceeds φc. The model also recapitulates the global structure of proteins since it can accurately refold to native-like structures from partially unfolded states. © 2024, CC BY.

关键词： Proteins

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Role of the Ionomer in Supporting Electrolyte-Fed Anion Exchange Membrane Water Electrolyzers

ACS electrochemistry

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ACS electrochemistry 2025年第2期1卷 239-248页

作者： Emily K Volk Arielle L Clauser Melissa E Kreider Diego D Soetrisno Sunilkumar Khandavalli Joshua D Sugar Stephanie Kwon Shaun M Alia Advanced Energy Systems Graduate Program Colorado School of Mines Golden Colorado 80401 United States. Sandia National Laboratories Livermore California 94550 United States. Chemistry and Nanoscience Center National Renewable Energy Laboratory Golden Colorado 80401 United States. Materials Science Center National Renewable Energy Laboratory Golden Colorado 80401 United States. Department of Chemical and Biological Engineering Colorado School of Mines Golden Colorado 80401 United States.

While anion exchange membrane water electrolyzers (AEMWEs) have achieved significant performance advances in recent decades, overpotentials remain high relative to their proton exchange membrane water electrolyzer (PEMWE) counterparts, requiring AEMWE-specific catalyst layer design strategies to further advance this technology. In this work, the role of the ionomer in catalyst layer structure and quality, catalyst layer stability, and ion conduction for supporting electrolyte-fed AEMWEs is assessed for catalyst layers composed of NiFeO and PiperION TP85 from Versogen at variable ionomer contents (0-30 wt %) for tests up to 200 h. The results reveal that, for supporting electrolyte-fed AEM devices, the ionomer is not required for ion conduction through the catalyst layer. Instead, the ionomer is found to play a critical role in catalyst layer structure and stability, where intermediate ionomer contents lead to the lowest overpotentials, highest effective surface areas, and lowest catalyst layer resistances. Catalyst layer stability is found to be a function of both catalyst adhesion and ionomer loss. These results show that an ionomer may be selected which is not of the same chemistry as the anion exchange membrane, mitigating ionomer stability concerns throughout the catalyst layer and offering a pathway towards highly active and stable AEMWEs.

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Accelerated Discovery of Solvation Structure engineering for Stable Aqueous Rechargeable Zinc Batteries via Physics-Guided Bayesian Active Learning (Small 23/2025)

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Small 2025年第23期21卷

作者： Minsu Kim Minji Lee Inyoung Choi Jihye Oh Sanga Paik Areum Han Sinae Lee Hyerim Hwang Jonggeol Na Kwan Woo Nam Department of Chemical Engineering Massachusetts Institute of Technology Cambridge MA 02139 USA Department of Chemical Engineering and Materials Science Graduate Program in System Health Science and Engineering Ewha Womans University Seoul 03760 Republic of Korea

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engineering the directionality of hot carrier tunneling in plasmonic tunneling structures

arXiv

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arXiv 2023年

作者： Abbasi, Mahdiyeh Liao, Shusen Zhu, Yunxuan Natelson, Douglas Department of Electrical and Computer Engineering Rice University HoustonTX77005 United States Applied Physics Graduate Program Smalley-Curl Institute Rice University HoustonTX77005 United States Department of Physics and Astronomy Engineering Rice University HoustonTX77005 United States Department of Materials Science and Nanoengineering Rice University HoustonTX77005 United States

Tunneling metal-insulator-metal (MIM) junctions can exhibit an open-circuit photovoltage (OCPV) response under illumination that may be useful for photodetection. One mechanism for photovoltage generation is hot carrier tunneling, in which photoexcited carriers generate a net photocurrent that must be balanced by a drift current in the open-circuit configuration. We present experiments in electromigrated planar MIM structures, designed with asymmetric plasmonic properties using Au and Pt electrodes. Decay of optically excited local plasmonic modes preferentially creates hot carriers on the Au side of the junction, leading to a clear preferred directionality of the hot electron photocurrent and hence a preferred polarity of the resulting OCPV. In contrast, in an ensemble of symmetric devices constructed from only one Au, polarity of the OCPV has no preferred direction. Copyright © 2023, The Authors. All rights reserved.

关键词： Plasmonics

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Boosting the Photocatalytic Activity of G-C3n4/Zno Heterojunctions Through Optimal Control of Mass Ratio

SSRN

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SSRN 2022年

作者： da Silva, Fausthon Fred da Silva, Rodolfo Bezerra Silva, Thayse R. de Macedo, Daniel Araujo Su, Bo Biomaterials Engineering Bristol Dental School University of Bristol Lower Maudlin Street BristolBS1 2LY United Kingdom PB João Pessoa58051-900 Brazil RN Mossoró59610-090 Brazil Materials Science and Engineering Postgraduate Program UFPB João Pessoa58051-900 Brazil

Carbon nitride (CN, g-C3N4) has emerged as a promising high-activity photocatalyst, despite some disadvantages like fast electron-hole recombination. The formation of CN-based heterojunctions is a viable strategy to overcome unwanted recombination processes. However, the precise control of the experimental parameters during the heterojunction formation is still needed to boost the photocatalytic efficiency. Herein, the influence of the mass ratio on the photocatalytic performance of CN/ZnO heterojunctions was investigated. The samples were obtained at room temperature via impregnation method and ultrasonic treatment. Heterojunctions were characterised by XRD and FT-IR, and interactions between the components were evidenced by the shifts in the diffraction patterns and vibrational spectra. The morphologies were investigated via SEM/TEM, confirming the formation of heterojunction interfaces. A strong influence of the CN/ZnO ratio was found on bandgaps, crystallite sizes. Photocatalytic activity was evaluated using rhodamine B dye in aqueous solution. High photocatalytic performances were obtained for CN/ZnO ≥ 1, and the best ratio was 2. The control of mass ratio changed the formation mechanism from type II heterojunction (CN/ZnO © 2022, The Authors. All rights reserved.

关键词： Carbon nitride

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An Innovative Real-Time Cell Viability Analysis: A Cutting-Edge Flexible Bioimpedance Sensor

SSRN

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SSRN 2023年

作者： Chou, Hsin-Yu Ching, Congo Tak-Shing Huang, Hui-Xuan Phan, Thien Luan Wang, Hui-Min David Department of Materials Science and Engineering National Chung Hsing University Taichung40227 Taiwan Ph.D. Program in Tissue Engineering and Regenerative Medicine National Chung Hsing University Taichung402 Taiwan Graduate Institute of Biomedical Engineering National Chung Hsing University Taichung40227 Taiwan Department of Electrical Engineering National Chi Nan University Nantou54561 Taiwan Department of Physic and Electronic Engineering Faculty of Physic and Engineering Physic Vietnam National University Ho Chi Minh City University of Science Viet Nam Graduate Institute of Medicine College of Medicine Kaohsiung Medical University Kaohsiung807 Taiwan Department of Medical Laboratory Science and Biotechnology China Medical University Taichung City404 Taiwan

There are many compounds to be used to treat cancer but still only 20% of proposed anticancer agents have been commercialized after clinical trials due to serious side effects and unsatisfactory results. To screen potential drugs precisely and quickly, this study develops a flexible bioimpedance sensor. The sensor is positive to detect the half maximal inhibitory concentration (IC50) of drugs real-time by analyzing phase angle changes during cell mortality. The best results are achieved using a probe separation of A12B34 at logarithmic frequencies of 163 Hz and 77.87 kHz. At these two frequencies, there is a linear relationship with the phase angle at 0% and 50% of the dead cells. Dividing the phase angle at the two frequencies shows a 17.98% change in the phase angle, which allows self-correction and insensitivity to the number of cells. A custom phase angle measurement device is developed for detection at 163 Hz and 77.87 kHz, respectively. This study develops a novel sensor that is precise, fast and allows high throughput analysis to detect the inhibition of cancer in real-time. This sensor is an alternative to traditional chemical detection methods because it is faster, cheaper and more accurate. © 2023, The Authors. All rights reserved.

关键词： Chemical detection

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Catharanthus roseus-mediated CuAl2O4 nanocomposites for evaluation of killing kinetics

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Chemosphere 2024年 359卷 142369页

作者： Potbhare, Ajay K. Yerpude, Sachin Daddemal-Chaudhary, Ankita R. Lambat, Ashish Mondal, Aniruddha Dadure, Kanhaiya M. Rai, Alok R. Abdala, Ahmed Chaudhary, Ratiram G. Department of Chemistry S. K. Porwal College of Arts and Science and Commerce Kamptee441001 India Department of Microbiology S. K. Porwal College of Arts and Science and Commerce Kamptee441001 India Lady Amritabai Daga College for Women of Arts Commerce and Science Nagpur440010 India Post Graduate Teaching Department of Botany RTM Nagpur University Nagpur440033 India Department of Biology Sevadal Mahila Mahavidyalaya Nagpur India Division of Materials Science Lulea University of Technology Lulea97187 Sweden Department of Chemistry Bajaj College of Science Wardha India Chemical Engineering Program Texas A&M University at Qatar Doha Qatar

The present article portrayed on the killing kinetic of human pathogenic bacteria using bioinspired mesoporous CuAl2O4 nanocomposites (NCs). The NCs was fabricated using leaf extract of medicinal plant Catharanthus roseus (CR) as a green reducer and stabilizer. As bio-fabricated material was calcined at 800 °C and characterized by several analytical techniques like X-ray Diffraction (XRD), Fourier Transform Infrared Spectroscopy (FT-IR), Ultraviolet–Visible Diffuse Reflectance Spectroscopy (UV-DRS), Energy Dispersive X-Ray Spectroscopy (EDS), X-Ray Photoelectron Spectroscopy (XPS), Raman, Brunauer-Emmett-Teller (BET), Scanning Electron Microscopy (SEM), and Transmission Electron Microscopy (TEM) to authenticate its structure, phase, chemical bonding, chemical state, size and morphology behaviors. XRD and TEM revealed a reduced crystallite and nanoscale sizes of biosynthesized NCs. Moreover, XRD study exposed a cubic-structure of material, while transmission electron microscopy rendered an average particles size in range 10–15 nm. However, BET profile advocates a mesoporous nature of the particles. An effective biological molecular docking modulation assessed by substituting natural inhibitor by bioinspired NCs, while the protein PDB ID 4Z8D FabH as a receptor site for the present investigation. After assessment of molecular docking examination, the antibacterial activity of bioinspired NCs were performed against Staphylococcus aureus, Bacillus subtillis, Klebsiella pneumoniae and Escherichia coli using agar-well method. The broth culture method was employed on different pathogenic strains by kinetic growth assays and colony forming unit. © 2024 Elsevier Ltd

关键词： Nanocomposites

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