bluuebunny/crossref_metadata_2025_split huggingface dataset:
Electrochemical Properties of AuNP-Tind Nanostructures As Glucose Sensing Materials and Thorough Interference Study
Authors: Grochowska Katarzyna , Olejnik Adrian , Karczewski Jakub , Siuzdak Katarzyna 
Published: December 2020

Non-enzymatic glucose sensors are prominent alternatives to the commercially available glucometers. Their main advantages over enzyme–based devices are higher stability to changes of the environment such as pH and temperature and lack of complicated immobilization procedure [1]. However non-enzymatic glucose sensitive materials are typically less selective, so there is a strong requirement for the development of proper coatings or membranes in order to minimize the negative influence of interferences. Therefore we present Au-Ti heterostructure covered with various coatings (e.g. Nafion, poly(sulfobetaine methacrylate)) and novel approach for analysis of interfering species influence onto electrode performance in neutral solution.
Fabrication procedure of material consists of the following steps: preparing structured titanium template (TiND) by anodization and etching of nanotubes, gold sputtering and subsequent dewetting. After those steps electrode morphology is investigated by scanning electron microscopy (SEM) and atomic force microscopy (AFM) [2] revealing the presence of gold nanoparticles (AuNPs) in every dimple of Ti foil. Lastly, as formed material is covered by protective coating. Electrochemical properties and catalytic activity towards glucose oxidation are determined by standard techniques - cyclic voltammetry (CV) and impedance spectroscopy (EIS). Examining interference phenomena of various compounds (such as ascorbic acid (AA), acetaminophen (AAp), urea and glycine) is realized by both CV and EIS techniques in certain configuration. Moreover influence of those species on the catalytic activity of the material is established. Obtained results confirm the possibility of using prepared electrodes in sensors applied for noninvasive glucose detection in human body fluids.

Acknowledgements

This work has been financed by National Center for Research and Development under the LIDER program (LIDER/2/0003/L-8/16/NCBR/2017).

References

[1] Hwang, Dae-Woong, et al. "Recent advances in electrochemical non-enzymatic glucose sensors–a review." Analytica chimica acta 1033 (2018): 1-34.
[2] Olejnik, Adrian, et al. "A Flexible Nafion Coated Enzyme‐free Glucose Sensor Based on Au‐dimpled Ti Structures." Electroanalysis 32.2 (2020): 323-332.

Figure 1
(Keynote) Design of Ultra-High-Sensitive Gas Sensors By Combination of Metal Oxides Semiconductor and MEMS
Authors: Shimanoe Kengo , Suematsu Koichi , Watanabe Ken 
Published: December 2020

Ultra-High-Sensitive (UHS) gas detection in ppt level has been proposed by using pulse-heating of MEMS-device based on SnO2. My group reported three important factors, receptor function, transducer function and utility factor, for gas sensor material designs and their integration in 2003 (1) and 2006 (2), respectively. In 2014, based on the integration of the above factors, the gas sensor using Pd-loaded SnO2 clusters prepared by hydrothermal treatment could successfully detect toluene in ppb level (3). To enhance the sensor response more, we investigated the combination of utility factor and pulse-heating of MEMS. The MEMS-type gas sensors are repeatedly heated and allowed to cool by the application of voltage to the micro-heater; the toluene gas penetrates into the interior of the sensing layer (Pd-loaded SnO2 clusters) during its unheated state. In 2018, we reported that such sensor responded to toluene in 0.1 ppb (4). To enhance the sensor response, we paid attention to oxygen adsorption species and the amounts. In the case of Pd-loaded SnO2, oxygen adsorbed as mainly O2- on the surface, but the amounts become smaller with decreasing in temperature. To overcome such oxygen adsorption state, we investigated the preheating and waiting-time before pulse-heating for measurement. Finally, the gas response was found to increase as shown in Fig. 1. It is found that the sensor response depends on the waiting-time between pre-heating and measure-heating. In addition, to apply the UHS gas sensor using MEMS-type for aliphatic compounds such as alcohol, we have investigated a composite material that consists of the perovskite-type oxide (Ba0.9La0.1FeO3-σ) and SnO2 nanoparticles. The obtained results indicated that perovskite type oxide added SnO2 nanoparticles exhibits higher sensor response to C2H5OH than that of pure SnO2. Furthermore, the introducing of the pre-heating before measurement was effective for the sensor response as same as the case of toluene detection. Such sensor operation for composite material enabled the detection of ethanol in ppb level. It seems that the perovskite-type oxide plays a role of oxygen supplier to avoid the situation of oxygen absent or that the perovskite-type oxide works as a partial oxidation catalyst. In the presentation, I will show the design of UHS gas sensor in details.
References
(1) N. Yamazoe, G. Sakai, K. Shimanoe, Catalysis Surveys from Asia, 7(1), 63-75 (2003).
(2) K. Shimanoe, N. Yamazoe, Proc. The 4th AIST International Workshop on Chemical Sensors, pp. 43-51 (2006).
(3) K. Suematsu, Y. Shin, Z. Hua, K. Yoshida, M. Yuasa, T. Kida, K. Shimanoe, ACS Appl. Mater., 6, 5319−5326 (2014).
(4) K. Suematsu, W. Harano, T. Oyama, Y. Shin, K. Watanabe, K. Shimanoe, Anal. Chem., 90(19), 11219-11223 (2018).

Figure 1
Ultra-Stable and Highly Sensitive Co Exsolution Material for Gas Sensing Applications
Authors: Sharma Bharat , Myung Jae-Ha 
Published: December 2020

Gas sensors can operate with high performance depending on various ways as stability of sensing material to perform in harsh conditions such as high operating temperature, selectivity, and long-term stability. Conventional metal oxide semiconductors can operate at high temperature with display rapid detection and recovery, an outstanding response at the ppm concentration level. In contradiction, at a high temperature generally leads to a reduction in gas response due to the electron depletion layer (EDL) disappears at the grain boundaries. Thus, investigations on searching appropriate sensing materials for high-temperature sensing application requires more momentous effort. The in-situ metal exsolution have engrossed superior thought as an auspicious tactic to formulate in-situ growth of metal nanoparticles for gas sensing technology due to their high thermal and chemical stabilities that prevent the aging effect. Here we investigated the gas sensing properties of Co exsolved nanoparticle during a wide range of growth by controlling reduction temperature. In metal exsolution, demonstrated in Fig. 1a, a catalytically active metal is implanted into crystal lattice of backbone in oxidizing environments, creating solid solution, and is unconfined (exsolved) on the surface of the nanostructure as metal nanoparticles on exposure to a reduction atmosphere. Form our results, we found that Co ex-solution exhibit high gas response of Ra/Rg 135.1 at operating temperature of 350 °C with high selectivity to acetone gas as presented in Fig. 1b. Our findings suggest that the metal exsolved nanoparticles have potential for achieving high gas response, high selectivity and long-term stability for high temperature sensing applications
Fig. 1 (a) Schematic for in-situ metal exsolution, (b) Evolution of La0.43Ca0.37Co0.06Ti0.94O3-d based sensor, gas response at different operating temperatures

Figure 1
(Invited) A Protein Corona-Based Design Strategy for Carbon Nanotube Sensors
Authors: Pinals Rebecca , Ledesma Francis , Chio Linda , Landry Markita P 
Published: December 2020

Unpredictable protein adsorption on nanoparticles remains a considerable challenge towards effectively applying nanotechnologies in biological environments.1 However, if well understood and controlled, proteins adsorbed on nanoparticles can be exploited to develop protein-based nanosensors.
Herein, we employ our knowledge of spontaneous “protein corona” formation on single-walled carbon nanotubes (SWCNTs) in biofluids towards rational nanosensor design based on protein-SWCNT complexation.2 SWCNTs are implemented as the sensor platform due to their desirable optical and physical characteristics, including photostable fluorescence in the near-infrared tissue transparency window3 and high aspect ratio that confers delivery capabilities.4 We functionalize carbon nanotubes with proteins that, in turn, bind to their natural ligand partners. The adsorbed protein thus acts as the recognition moiety that interacts with the environment and detects the analyte of interest, tethered to the SWCNT that serves as the signal transducer. This nanosensor platform combines the sensitive and selective binding capabilities of proteins for their ligand partners with the near-infrared fluorescence readout of SWCNTs that is modulated upon protein-ligand binding. In this manner, we demonstrate that although formation of the nanoparticle protein corona can impede the intended nanobiotechnology application, it also presents an opportunity to create improved protein-nanoparticle architectures by manipulating selective protein adsorption on the nanoparticle surface.

References

Pinals, R. L. et al. Protein Corona Composition and Dynamics on Carbon Nanotubes in Blood Plasma and Cerebrospinal Fluid. bioRxiv 2020.01.13.905356 (2020) doi:10.1101/2020.01.13.905356.

Pinals, R. L., Yang, D., Lui, A., Cao, W. & Landry, M. P. Corona Exchange Dynamics on Carbon Nanotubes by Multiplexed Fluorescence Monitoring. J. Am. Chem. Soc.
142, 1254–1264 (2020).

Boghossian, A. A. et al. Near-Infrared Fluorescent Sensors based on Single-Walled Carbon Nanotubes for Life Sciences Applications. ChemSusChem
4, 848–863 (2011).

Demirer, G. S. et al. High aspect ratio nanomaterials enable delivery of functional genetic material without DNA integration in mature plants. Nat. Nanotechnol.
14, 456–464 (2019).
Development of Flame Retarding Separator for Lithium Ion Battery By Crosslinkable Binder Coating
Authors: Roh Youngjoon , Jeon Hyunkyu , Jin Dahee , Ryou Myung-Hyun , Lee Yong Min 
Published: December 2020

Conventional polyolefin separators undergo thermal shrinkage under abnormal conditions such as overcharging and overheating, and this may induce catastrophic thermal runaway in LIBs, resulting in gas venting, fire, rupture, or explosion. Ceramic-coated separators (CCSs) have been widely used because inorganic materials with high heat resistance protect the polyolefin surface to prevent thermal shrinkage of the separator. However, without the use of highly adhesive and thermally stable polymeric binders, the ceramic coating layer is incapable of functioning properly to maintain the thermal stability of the CCSs when exposed to heat.
As one method for securing the thermal stability of the separator, we propose crosslinking of the binder in the ceramic coating layer. This study presents a thermally stable crosslinkable silsesquioxane-based ceramic-coated separator (x-CCS) with flame-retarding capabilities for the fabrication of safe Li-ion batteries. The binder used for crosslinking is ePOSS (inorganic polyhedral oligomeric silsesquioxane with epoxy functional end groups) with high thermal stability, which can form crosslinks with each other through UV irradiation. The x-CCS was fabricated by applying a 3 μm thick composite layer of Al2O3/ePOSS/PVdF-HFP to both sides of a conventional polyethylene separator. This remarkably improved the thermal stability of the separator at 140°C, with the original form of the separator maintained even after an ignition test. Because ePOSS, which has high thermal stability, is crosslinked like a net in the coating layer and maintains its shape after combustion. Although the permeability of the CCS was slightly decreased by the applied coating, the resultant improved wettability towards liquid electrolyte thereby enhancing the ionic conductivity, cycle performance, and rate capability when used in a Li-ion battery.
All-MXene 3D Aerosol-Jet Printed Microsupercapacitors
Authors: Spurling Dahnan , Kremer Matthias Peter , Coelho João , Zhang Chuanfang (John) , Nerl Hannah , McEvoy Niall , Nicolosi Valeria 
Published: December 2020

The Internet of Things (IoT) promises users a wider gamut of features and enhanced ease-of-use for devices in both professional and domestic settings. For such devices to have a future however, they will require compact energy storage, especially considering the widespread abandonment of cables in electronic devices for both power and data transfer. One possible answer to this requirement are micro-supercapacitors (MSCs), specifically those based on the MXene Ti3C2Tx, which has been well established as a material for supercapacitors owing to its high capacitance, cycling stability and conductivity.1 Specifically, the creation of Ti3C2Tx supercapacitors via printing techniques such that energy storage can be directly incorporated into the structure of electronics is very appealing and an area of much recent study.2,3 A plurality of these printing techniques have produced planar supercapacitors consisting of a dense MXene film which, while highly conductive, has a limited surface area for intercalation and ion transport.4 These planar devices also have intrinsically inferior space efficiency in real-world electronics. To address this issue, very recent studies have demonstrated 3D printing of nanomaterial-based supercapacitors, however these have been achieved using composites5 or post-processing steps such as freeze-drying.6 In this work, we show that aerosol-jet printing (AJP) of aqueous Ti3C2Tx inks can be used to directly fabricate high aspect ratio 3D structures up to 1 mm in height and with feature sizes as small as 20 µm. These can be realised without the aid of any supporting structures and in a wide range of geometries such as walls, pillars and pyramids. No post-processing is necessary, as only aqueous dispersions are used, without the need for additives, binders or additional drying steps. When such 3D features are integrated into symmetric interdigitated MSCs with gel electrolyte, the 3D structured electrodes exhibit 29% higher areal capacitance than comparable, mass-equivalent planar electrodes, up to 33 mF/cm2 at 10 mV/s.
Figure 1 shows the comparison between 2D (top row) and 3D (bottom row) Ti3C2Tx MSCs of equivalent mass. Cyclic voltammograms show a 29% increase in areal capacitance for the 3D device, 33 mF/cm2 at 10 mV/s. The difference in geometry between the two devices is evident in the low and high magnification SEM images, of particular note are the uniform 3D Ti3C2Tx pillars with height and diameter of approximately 300 µm and 20 µm, respectively.
References:
[1] B. Anasori et al., Nat. Rev. Mater., 2017, 2, 2
[2] C. J. Zhang et al., Adv. Funct. Mater., 2018, 28, 9
[3] C. J. Zhang el al., Nat. Commun., 2019, 10, 1
[4] Y. Xia et al., Nature, 2018, 557, 7705
[5] Z. Wang et al., ACS Appl. Mater. Interfaces, 2018, 10, 10437–10444
[6] W. Yang et al., Adv. Mater., 2019, 1902725, 1

Figure 1
A Robust Computational Framework for High-Throughput Density Functional Theory Calculations for Electrochemical Applications
Authors: Spotte-Smith Evan Walter Clark , Blau Samuel M , Wood Brandon , Dwaraknath Shyam , Persson Kristin A. 
Published: December 2020

High-throughput density functional theory (DFT) calculations are now commonly employed to screen materials for diverse applications and to populate databases of molecular properties. More recently, high-throughput DFT has been used to generate computational reaction networks for the analysis of reactive pathways. The automation of DFT calculations related to electrochemical systems has thus far been limited. Geometry optimization and SCF convergence are inherently more difficult when considering charged and open-shell molecules, coordinated metal ions, and solvated species, all of which are critically important for studies involving liquid-phase electrochemical environments such as those found in batteries. In addition, the chemical complexity of such species necessitates advanced levels of theory. We present a framework to automate the calculation of fully-optimized molecular geometries and molecular thermodynamic properties (enthalpy, entropy, and free energy) for molecules representing all the above challenges, including radical, charged, metal-coordinated, and solvated species. Our framework leverages the pymatgen,[1] fireworks,[2] custodian, and atomate[3] libraries to prepare, execute, and process electronic structure calculations using the Q-Chem DFT code.[4] Through benchmarking studies, we have identified appropriate methods for use in electrochemical environments, including an accurate density functional, basis set, and implicit solvent model. We have also implemented algorithms to correct common issues such as SCF convergence failures, geometric optimization to a non-minimal stationary point on the potential energy surface (a saddle point), and many more. In general, even when using an appropriate level of theory, 25% of calculations fail in some way without additional error correction. Our framework, using our suggested parameters and a suite of on-the-fly error handlers, converges to a minimum energy structure and calculates the molecular thermodynamic properties successfully in over 97% of cases. Individual calculations using our framework can be combined to perform complex workflows in a fully automated fashion. To date, we have applied this framework to over 25,000 unique molecules relevant to the formation of solid-electrolyte interphases in Li-ion and Mg-ion batteries.
[1] S. P. Ong et al., Computational Materials Science, 68, 314–319 (2013).
[2] A. Jain et al., Concurrency and Computation: Practice and Experience, 27(17), 5037-5059 (2015).
[3] K. Mathew et al., Computational Materials Science, 139, 140-152 (2017).
[4] Y. Shao et al., Molecular Physics, 113(2), 184-215 (2015).

Figure 1
Factors Affecting on Electrochemical Properties of O3-Type NaFeO2 for Sodium Ion Batteries
Authors: Kobayashi Tokio , Yabuuchi Naoaki 
Published: December 2020

LiCoO2 is generally used as a positive electrode material for lithium ion batteries. However, the abundance of cobalt in the Earth’s crust is limited to be less than 100 ppm, and therefore cobalt is expensive element. Iron-based electrode materials would be attractive as positive electrode materials for battery applications because iron is the most abundant transition metal ion. However, as a counterpart of LiCoO2, layered LiFeO2 is electrochemically inactive.[1] In contrast, layered NaFeO2 is electrochemically active, but cyclability is not enough associated with the irreversible structural change upon charge.[2, 3] In this study, we examine different factors affecting the electrode properties of NaFeO2 and discuss possibility as the positive electrode material for sodium ion batteries.
O3-type NaFeO2 was prepared by solid-state reaction from stoichiometric amount of Na2O2 and Fe2O3 as described by Takeda et al.[4] These starting materials were mixed using a mortar and pestle in an argon-filled globe box, and then pressed into a pellet. The pellet was heated at 650 oC for 12 h in O2. After the sample was prepared, the sample was mixed with acetylene black (NaFeO2: acetylene black = 90: 10 wt%) by using the planetary ball mill.
Figure 1 shows the XRD patterns and SEM images of O3-type NaFeO2 before and after mixing with acetylene black (denoted as as-prepared and carbon-composite NaFeO2, respectively). The as-prepared sample crystallizes into an O3-type layered structure as previously reported, and, from the XRD patterns, no change in the structure is found after milling with carbon. However, the particle size of the sample is clearly reduced by milling with carbon. Charge/discharge curves of O3-type NaFeO2 before and after milling with carbon are compared in Fig 2. A voltage profile of the as-prepared sample with a well-defined voltage plateau at 3.3 V is similar to that of the previous reports, and capacity degradation on electrochemical cycles is clearly observed. In contrast, carbon-composited NaFeO2 delivers a reversible capacity of over 100 mA h g-1 with much improved capacity retention.
From these results, we will discuss factors affecting electrode reversibility of O3-type NaFeO2 and possibility of rechargeable batteries made from only abundant elements.
References
[1] K. Ado et al., J. Electrochem. Soc.,
144, L177 (1997).
[2] S. Okada et al., ESC Meeting Abstract,
602, 201 (2006).
[3] N. Yabuuchi et al.,
Electrochemistry,
80, 716 (2012).
[4] Y. Takeda et al., Mater. Res. Bull.,
15, 1167 (1980).

Figure 1
Graphene Mobility Dependence on the Resistivity of Si Wafer
Authors: Ravichandran Arul , Cheng Lanxia , Lucero Antonio Tomas , Lee Jaebeom , Young Chadwin D , Venugopal Archana , Polley Arup , Colombo Luigi , Kim Jiyoung 
Published: December 2020

Graphene field effect transistors (GFETs) are typically benchmarked based on their field effect mobility. Constant mobility model proposed by Kim1
et.al is extensively used to derive this mobility parameter by directly fitting the transfer curves of graphene devices. Various methodologies were suggested to supplant and improve this existing mobility model. Among them Zhang2
et.al suggested the need for using measured gate oxide capacitance in order to extract mobility for top-gated GFETs. One of the commonly overlooked features, in the case of back gated GEFTs is the dopant concentration or the resistivity of Si substrate used. Herein, we explore the dependence of graphene carrier mobility on the induced carrier concentration and depletion capacitance of underlying Si substrate. Si with resistivities 0.01-0.02 Ω-cm and 0.001-0.005 Ω-cm were used to grow 10 nm thermal SiO2. GFETs were fabricated using CVD graphene on top of this thermal oxide substrate and the corresponding transfer curves are co-related with the capacitance density measured from corresponding MOSCAP structure. Detailed carrier mobility extraction and results are presented.
(1) Kim, S.; Nah, J.; Jo, I.; Shahrjerdi, D.; Colombo, L.; Yao, Z.; Tutuc, E.; Banerjee, S. K. Realization of a High Mobility Dual-Gated Graphene Field-Effect Transistor with Al2O3 Dielectric. Appl. Phys. Lett.
2009, 94 (6). https://doi.org/10.1063/1.3077021.
(2) Zhang, Z.; Xu, H.; Zhong, H.; Peng, L. M. Direct Extraction of Carrier Mobility in Graphene Field-Effect Transistor Using Current-Voltage and Capacitance-Voltage Measurements. Appl. Phys. Lett.
2012, 101 (21). https://doi.org/10.1063/1.4768690.