Engineering Science and Materials Commons^™

Band Alignments Of Metal/Oxides-Water Interfaces Using Ab Initio Molecular Dynamics, Yong-Bin Zhuang, Jun Cheng

Journal of Electrochemistry

Band alignments of electrode-water interfaces are of crucial importance for understanding electrochemical interfaces. In the scenario of electrocatalysis, applied potentials are equivalent to the Fermi levels of metals in the electrochemical cells; in the scenario of photo(electro)catalysis, semiconducting oxides under illumination have chemical reactivities toward redox reactions if the redox potentials of the reactions straddle the conduction band minimums (CBMs) or valence band maximums (VBMs) of the oxides. Computational band alignments allow us to obtain the Fermi level of metals, as well as the CBM and VBM of semiconducting oxides with respect to reference electrodes. In this tutorial, we describe …

Recent Progress Of Bifunctional Electrocatalysts For Oxygen Electrodes In Unitized Regenerative Fuel Cells, Tian-Long Zheng, Ming-Yu Ou, Song Xu, Xin-Biao Mao, Shi-Yi Wang, Qing-Gang He

Journal of Electrochemistry

Unitized regenerative fuel cells (URFCs), which oxidize hydrogen to water to generate electrical power under thefuel cells (FCs) mode and electrolyze water to hydrogen under the water electrolysis (WE) mode for recycling, areknown as clean and sustainable energy conversion devices. In contrast to the hydrogen oxidation reaction (HOR) andhydrogen evolution reaction (HER) on the hydrogen electrode side, the sluggish kinetics of oxygen reduction reaction(ORR) and oxygen evolution reaction (OER) on the oxygen electrode side requires highly efficient bifunctional oxygencatalysts. Conventional precious metal oxygen catalysts combine Pt and IrO₂ with excellent ORR and OER activities toachieve bifunctional electrocatalysis performance, but …

Electrochemical Scanning Tunneling Microscopy: Taking The Initial Stage Of Cu Electrodeposition On Au(111) As An Example, Zhuo Tan, Kai-Xuan Li, Bing-Wei Mao, Jia-Wei Yan

Journal of Electrochemistry

Electrochemical scanning tunneling microscopy (ECSTM) plays an important role in the field of electrochemistry, which can obtain potential-dependent structural information of electrode surface with high spatial resolution and observe some reaction processes in electrolyte solutions, and provide a powerful way to understand the interfacial structure and electrode processes from the perspective of high spatial resolution. In this article, the study of electrodeposition of Cu on Au (111) by ECSTM is taken as an example to introduce the experimental methods required for ECSTM and share our experience with other electrochemical groups. Firstly, the working principle of STM is introduced so that …

An Aptamer-Based Microelectrode With Tunable Linear Range For Monitoring Of K+ In The Living Mouse Brain, Yuan-Dong Liu, Jia-Run Li, Li-Min Zhang, Yang Tian

Journal of Electrochemistry

Potassium ion (K⁺) is widely involved in several physiopathological processes, and its abnormal changes are closely related to the occurrence of brain diseases of cerebral ischemia. In vivo acquirement of K⁺ variation is significant to understand the roles of K⁺ playing in brain functions. A microelectrode based on single-stranded DNA aptamers was developed for highly selective detection of K⁺ in brain, in which the aptamer probes were designed to contain an aptamer part for specific recognition of K⁺, an alkynyl group used for stable confinement of aptamer probe on the gold surface, and …

Scanning Photoelectrochemical Microscopic Study In Photoinduced Electron Transfer Of Supramolecular Sensitizers-Tio2 Thin Films Systems, Sheng-Ya Zhang, Min Yao, Ze Wang, Tian-Jiao Liu, Rong-Fang Zhan, Hui-Qin Ye, Yan-Jun Feng, Xiao-Quan Lu

Journal of Electrochemistry

Crafting charge transfer channels at titanium dioxide (TiO₂) based photoanodes remain a pressing bottleneck in solar-to-chemical conversion technology. Despite the tremendous attempts, TiO₂ as the promising photoanode material still suffers from sluggish charge transport kinetics. Herein, we propose an assembly strategy that involves the axial coordination grafting metalloporphyrin-based photosensitizer molecules (MP) onto the surface-modified TiO₂ nanorods (NRs) photoanode, forming the composite MP/TiO₂ NRs photoelectrode. As expected, the resulted unique MP_B/TiO₂ NRs photoelectrode displays significantly improved photocurrent density as compared to TiO₂ NRs alone and MP_A/TiO₂ NRs photoelectrode. Scanning …

Fe Nanoparticles Encapsulated In N-Doped Porous Carbon For Efficient Oxygen Reduction In Alkaline Media, Chun-Yan Li, Rui Zhang, Xiao-Jie Ba, Xiao-Le Jiang, Yao-Yue Yang

Journal of Electrochemistry

Rational design and synthesis of non-precious-metal catalyst plays an important role in improving the activity and stability for oxygen reduction reaction (ORR) but remains a major challenge. In this work, we used a facile approach to synthesize iron nanoparticles encapsulated in nitrogen-doped porous carbon materials (Fe@N-C) from functionalized metal-organic frameworks (MOFs, MET-6). Embedding Fe nanoparticles into the carbon skeleton increases the graphitization degree and the proportion of graphitic N as well as promotes the formation of mesopores in the catalyst. The Fe@N-C-30 catalyst showed the excellent ORR activity in alkaline solutions (E₀ = 0.97 V vs. RHE, E_{1/2 …}

P-Doped Ru-Pt Alloy Catalyst Toward High Performance Alkaline Hydrogen Evolution Reaction, Rong-Qin Huang, Wei-Ping Liao, Meng-Xuan Yan, Shi Liu, Yuan-Ming Li, Xiong-Wu Kang

Journal of Electrochemistry

Electrocatalytic water splitting represents grand promise for hydrogen fuel in modern energy equipment, and the design and fabrication of higher performance catalysts are at the central. Herein, we report the sequential phosphorus (P)-doping into ruthenium (Ru) nanoparticles (Ru-P/C) by thermal annealing of Ru nanoparticles in phosphine (PH₃) atmosphere and deposition of extremely low concentration of platinum (Pt) to obtain P-doped Ru-Pt alloy catalyst supported on carbon nanotubes (CNTs), which is denoted as (Ru-P)#Pt/C. The data by X-ray diffraction spectroscopy and transmission electron microscopy show that the Ru nanoparticles existed in the form of hexagonal close-packed (hcp) phase with …

Deep Euteceic Solvents-Assisted Synthesis Of Novel Network Nanostructures For Accelerating Formic Acid Electrooxidation, Jun-Ming Zhang, Xiao-Jie Zhang, Yao Chen, Ying-Jian Fan, You-Jun Fan, Jian-Feng Jia

Journal of Electrochemistry

Deep eutectic solvents (DESs) have been reported as a type of solvent for the controllable synthesis of metal nanostructures. Interestingly, flower-like palladium (Pd) nanoparticles composed of staggered nanosheets and nanospheres are spontaneously transformed into three-dimensional (3D) network nanostructures in choline chloride-urea DESs using ascorbic acid as a reducing agent. Systematic studies have been carried out to explore the formation mechanism, in which DESs itself acts as a solvent and soft template for the formation of 3D flower-like network nanostructures (FNNs). The amounts of hexadecyl trimethyl ammonium bromide and sodium hydroxide also play a crucial role in the anisotropic growth and …

Enhancing Compatibility And Mechanical Properties Of Natural Rubber Composites, Krisma Yessi Sianturi, Adam Febriyanto Nugraha, Belle Kristaura, Mochamad Chalid

Journal of Materials Exploration and Findings

Pure natural rubber (NR) exhibits low mechanical properties, necessitating the incorporation of additives like vulcanizing agents and fillers. Carbon black and silica, conventional fillers, are relatively expensive and not environmentally friendly. This study explores using Oil Palm Empty Fruit Bunch (OPEFB) fiber as an affordable, abundant, and biodegradable alternative filler for NR. However, compatibility issues arise between the nonpolar NR and the polar OPEFB fiber. A latex-starch hybrid coupling agent (CA (NR-St)) was added to the composite formulation to address this. NR, OPEFB fiber, and the coupling agent were mixed using an open roll mill with a 10 phr OPEFB …

Assessment Of Bridge Pier Response To Fire, Vehicle Impact, And Air Blast, Chen Fang, Qusai Alomari, Daniel G. Linzell

Department of Civil and Environmental Engineering: Dissertations, Theses, and Student Research

Highway bridges exposed to intentional or unintentional fire followed by combined vehicle impact and air blast are at risk of significant damage and, possibly, collapse. Limited studies examining the complex effects of these extreme demands on bridge support elements and parametrizing their response and damage are found in the open literature. Research that is presented is part of an ongoing numerical investigation examining round, multi-column, reinforced concrete (RC), bridge pier behavior subject to multi-hazard scenarios involving fire, vehicle impact, and air blast. Detailed nonlinear finite element analysis models of single columns and multi-column piers supported by a pile foundation system …

Spectroscopic Studies On Silicon And Chalcopyrite Materials For Solar Energy Applications, Amandee Hua

UNLV Theses, Dissertations, Professional Papers, and Capstones

In this dissertation, silicon-based materials for photovoltaics and chalcopyrite-based materials for photoelectrochemical water splitting are investigated using various spectroscopic and microscopic techniques. Although silicon dominates the photovoltaic market, further improvement can be made by using an alternative low temperature passivation approach. Currently, thermally grown SiO2 passivation is commonly used for silicon solar cells. However, this technique requires high processing temperatures (>800 °C), which increases the thermal budget, potentially decreases the bulk quality of Si, and can lead to difficulties in implementing in production lines. Here, a S-based passivation approach is studied that require lower processing temperatures of ~550 °C. …

Machine Learning-Based Data And Model Driven Bayesian Uncertanity Quantification Of Inverse Problems For Suspended Non-Structural System, Zhiyuan Qin

All Dissertations

Inverse problems involve extracting the internal structure of a physical system from noisy measurement data. In many fields, the Bayesian inference is used to address the ill-conditioned nature of the inverse problem by incorporating prior information through an initial distribution. In the nonparametric Bayesian framework, surrogate models such as Gaussian Processes or Deep Neural Networks are used as flexible and effective probabilistic modeling tools to overcome the high-dimensional curse and reduce computational costs. In practical systems and computer models, uncertainties can be addressed through parameter calibration, sensitivity analysis, and uncertainty quantification, leading to improved reliability and robustness of decision and …

The Study Of Corrosion On Additive-Manufactured Metals., Braydan Daniels

Electronic Theses and Dissertations

The purpose of this study was to investigate and compare the corrosion mechanisms between wrought and additive-manufactured (3D-printed) copper and stainless steel. The experimental procedure consisted of measuring the open circuit potential, electrochemical impedance spectroscopy, linear sweep voltammetry, Tafel analysis, surface topology, and scanning electron microscopy for each metal within salt water, tap water, sulfuric acid, and synthetic body fluid (excluding copper in synthetic body fluid).

Overall, printed stainless steel was more corrosion-resistant than wrought stainless steel in tap water and synthetic body fluid based on OCP, LSV, and surface topology results. Additionally, printed copper was more corrosion-resistant than wrought …

Thermal Behavior Of Plain And Fiber-Reinforced Rigid Concrete Airfield Runways, Arash Karimi Pour

Open Access Theses & Dissertations

The environmental condition and temperature gradient are important factors resulting in concrete airfield runways cracking during the time. Rigid concrete airfield runways experience different thermal gradients during the day and night due to changes in air temperature. Curling and thermal expansion stresses are the main consequences resulting in various types of cracking over the surface and thickness of concrete airfield runways and increasing maintenance costs. The curvature of concrete slabs increases with an increase in the temperature gradient which is amplified when runways open to traffic. Additionally, the combination of the curling and shrinkage stresses, in rare circumstances, can be …

Metastability And Degradation In Cu(In,Ga)Se2 Thin-Film Solar Cells, Mohsen Jahandardoost

UNLV Theses, Dissertations, Professional Papers, and Capstones

Cu(In,Ga)(S,Se)2 or CIGS is a thin-film semiconductor that has shown a device efficiency of 23.35% and 24.2% for single-junction and perovskite/CIGS tandem solar cells, respectively. CIGS offers promising properties such as tunable bandgap and ease of processing making them great candidates for thin-film tandem devices. However, knowledge of the effect of material defects, buffer materials, and post-deposition treatment (PDT) on degradation and metastability behavior in these devices is not well understood.In this dissertation, metastability and long-term degradation of CIGS thin-film solar cells have been investigated under combinatorial stress factors of heat, light, and voltage bias to systematically understand the effect …

Preface To The Special Issue On Lithium-Sulfur Batteries, Jia-Jia Chen, Ren-Jie Chen, Zhong Jin

Journal of Electrochemistry

No abstract provided.

Cobalt/Carbon Composites As Sulfur Hosts For High-Performance Lithium-Sulfur Batteries, Yun-Rui Yang, Huan-Huan Dong, Zhi-Qiang Hao, Xiang-Xi He, Zhuo Yang, Lin Li, Shu-Lei Chou

Journal of Electrochemistry

Lithium-sulfur (Li-S) battery is one of the promising energy storage devices because of its high energy density. However, the sulfur cathode suffers from sluggish electrochemical reaction kinetics, slow charge transfer, large volume expansion and severe shuttle effect of lithium polysulfides inevitably resulting in low reversible capacity, poor rate performance and short cycle life, limiting its practical applications. Herein, the recent progress of cobalt/carbon composites, including cobalt nanoparticles and cobalt single atoms, as the sulfur host materials in Li-S batteries is overviewed. In general, cobalt plays the role of electrocatalyst, which inhibits the shuttle effect of lithium polysulfides, accelerates the electrochemical …

Recent Advances Of Functional Electrolyte Additives For Lithium-Sulfur Batteries, Xiu-Qing Zhang, Shuai Tang, Yong-Zhu Fu

Journal of Electrochemistry

Lithium-sulfur (Li-S) batteries have become one of the most promising next-generation battery systems due to their high energy density and low cost. However, the application of Li-S batteries still faces critical challenges, such as the low conductivities of S and Li₂S, shuttle effect of polysulfides and dendrite growth of Li, etc. The optimization of the electrolyte can ameliorate the electrolyte|electrode interphase, conveniently regulating the parasitic reaction and improving the performance of the resultant batteries. The functional additives in electrolytes provide chances to tune the interphase and even the redox mechanism to improve the performance of the batteries. In …

Metals And Alloys As Catalytic Hosts Of Sulfur Cathode For Lithium-Sulfur Batteries, Zhen-Yu Wang, Xue-Ping Gao

Journal of Electrochemistry

Lithium-sulfur batteries are recognized as one of the most promising next-generation energy storage devices, owing to the high theoretical energy density of 2600 Wh·kg^–1. However, their application has been seriously hindered by the sluggish electrochemical reaction kinetics of elemental sulfur and discharged products (Li₂S₂/Li₂S), and the notorious “shuttle effect” of soluble intermediate lithium polysulfide species, leading to poor cycle stability, low sulfur utilization and inferior coulombic efficiency. Introducing catalytic hosts into sulfur cathode is an efficient path to propel the conversion of sulfur-contained species, thus preventing the dissolution and loss of active-sulfur …

Ultraviolet-Initiated In-Situ Cross-Linking Of Multifunctional Binder Backbones Enables Robust Lithium-Sulfur Batteries, Sha Li, Xiao Zhan, Gu-Lian Wang, Hui-Qun Wang, Wei-Ming Xiong, Li Zhang

Journal of Electrochemistry

Lithium-sulfur (Li-S) batteries show attractive prospects owing to their high theoretical energy density, but their commercialization still faces such challenges as lithium polysulfides shuttling, severe volume change and considerable polarization. These stubborn issues place higher demands on each component in the battery, such as the development of multifunctional binders with superior mechanical properties. Herein, ethoxylated trimethylolpropane triacrylate was firstly introduced into sulfur cathodes, and in-situ cross-linked by ultraviolet (UV) curing combined with traditional polyvinylidene difluoride binder (i.e., forming a binary binder, denoted as c-ETPTA/PVDF) to construct high-loading and durable Li-S batteries. The covalently cross-linked ETPTA framework not only significantly enhances …

A Review On Solid-State Li-S Battery: From The Conversion Mechanism Of Sulfur To Engineering Design, Huan-Huan Jia, Chen-Ji Hu, Yi-Xiao Zhang, Li-Wei Chen

Journal of Electrochemistry

Lithium-sulfur (Li-S) batteries attract sustained attention because of their ultrahigh theoretical energy density of 2567 Wh·kg^–1 and the actual value over 600 Wh·kg^–1. Solid-state Li-S batteries (SSLSBs) emerge in the recent two decades because of the enhanced safety when compared to the liquid system. As for the SSLSBs, except for the difference in the conversion mechanism induced by the cathode materials themselves, the physical-chemical property of solid electrolytes (SEs) also significantly affects their electrochemical behaviors. On account of various reported Li-S batteries, the advantages and disadvantages in performance and the failure mechanism are discussed in this review. …

Recent Research Progresses Of Solid-State Lithium-Sulfur Batteries, Yu Luo, Ru-Qin Ma, Zheng-Liang Gong, Yong Yang

Journal of Electrochemistry

All solid-state lithium-sulfur batteries (ASSLSBs) are considered to be one of the most promising next-generation energy storage systems, due to the promises of high energy density and safety. Although the use of solid-state electrolytes could effectively suppress the "shuttle effect" and self-discharge of the conventional liquid lithium-sulfur (Li-S) battery, the commercialization of ASSLSBs has been seriously hampered by the electrolyte degradation, electrode/electrolyte interfacial deterioration, electrochemo-mechanical failure, lithium dendrite growth and electrode pulverization, etc. This paper provides a comprehensive review of recent research progresses on the solid-state electrolytes, sulfur-containing composite cathodes, lithium metal and lithium alloy anodes, and electrode/electrolyte interfaces in …

Bimetallic Compound Catalysts With Multiple Active Centers For Accelerated Polysulfide Conversion In Li-S Batteries, Wu-Xing Hua, Jing-Yi Xia, Zhong-Hao Hu, Huan Li, Wei Lv, Quan-Hong Yang

Journal of Electrochemistry

Practical applications of lithium-sulfur (Li-S) batteries are hindered mainly by the low sulfur utilization and severe capacity fading derived from the polysulfide shuttling. Catalysis is an effective remedy to those problems by promoting the conversion of polysulfides to reduce their accumulation in the electrolyte, which needs the catalyst to have efficient adsorption ability to soluble polysulfides and high activity for their conversion. In this work, we have proposed a bimetallic compound of NiCo₂S₄ anchored onto sulfur-doped graphene (NCS@SG) to fabricate a catalytic interlayer for Li-S batteries. Compared to CoS, the NiCo₂S₄ demonstrated much higher …

Coni-Based Bimetal-Organic Framework Derived Carbon Composites Multifunctionally Modified Separators For Lithium-Sulfur Batteries, Yan-Jie Wang, Hong-Yu Cheng, Ji-Yue Hou, Wen-Hao Yang, Rong-Wei Huang, Zhi-Cong Ni, Zi-Yi Zhu, Ying Wang, Ke-Yi Wei, Yi-Yong Zhang, Xue Li

Journal of Electrochemistry

The commercial application of lithium-sulfur batteries (LSB) is still limited by the irreversible capacity fading caused by the shuttle of lithium polysulfides (LIPS). To address this issue, a bimetal (nickel, cobalt)-organic framework (MOF) derived carbon, (Ni, Co)/C, was prepared to modify the separator. The multifunctionally modified separator effectively captures LIPS, ensuring the stability and reversibility of sulfur fixation, while providing catalytic activity and improving ionic conductivity. The cobalt metal has a larger coordination number, more pore structure distribution, larger specific surface area, more surface C=O, and smaller particle size to achieve a large and rapid chemical sulfur fixation. The high …

Preface To The Special Issue On Lithium-Sulfur Batteries, Jia-Jia Chen, Ren-Jie Chen, Zhong Jin

Journal of Electrochemistry

No abstract provided.

Towards An Understanding Of The Thermodynamic Properties Of Crtao4: A Computational Perspective, Tanner B. Gordon

Theses and Dissertations

Materials that can withstand higher temperatures are paramount for next-generation aircraft design. Hypersonic capabilities and jet-turbine engines operate in extreme environments. Choosing materials that have high thermal stability and oxidation resistance for these applications can increase engine efficiency, reduce size, weight and power (SWaP), and increase the maneuverability of the aircraft. The mixed oxide CrTaO₄ has been experimentally observed to significantly contribute to oxidation resistance at high temperatures. However, and despite its significance, its properties remain largely unknown. This work explores the thermal properties of this material from a multi-scale approach, by obtaining an accurate description of the thermodynamics …

Precious Plastics - Plastic Brick Machine Fabrication, Timothy Ukaobasi Kanu, Evi Paraskevi Troulis

Architectural Engineering

The goal of this research is to determine the structural parameters of the recycled plastic polypropylene when molded into bricks resembling CMU blocks. To accomplish this, three mechanisms had to be assembled: the shredder, the injector, and the 1x1 mold. A tensile and compression test were to be performed on the plastic brick, and the values would be used to compare the tensile and compressive strength of PP plastic bricks, as well as their modulus of elasticity and stress vs. Strain performance. These values would be analyzed to determine whether it would be feasible to build an entire plastic wall. …

Advances And Challenges On Cathode Catalysts For Lithium-Oxygen Batteries, Bo Wen, Zhuo Zhu, Fu-Jun Li

Journal of Electrochemistry

Aprotic lithium-oxygen batteries (LOBs) with high theoretical energy density have received considerable attention over the past years. However, the oxygen reduction reaction (ORR)/oxygen evolution reaction (OER) at cathodes suffer from slow kinetics for large overvoltages in LOBs. Significant advances on catalysts have been achieved to accelerate cathode kinetics, but understanding on the formation/decomposition processes of Li₂O₂ is limited. Herein, this review highlights the fundamental understanding of the correlation between catalysts and formation/decomposition of Li₂O₂. Various types of cathode catalysts are discussed to reveal the mechanism of formation/decomposition of Li₂O₂, …

Recent Advances In Anode Materials Of Solid Oxide Electrolysis Cells, Geng Zou, Wei-Cheng Feng, Yue-Feng Song, Guo-Xiong Wang

Journal of Electrochemistry

Solid oxide electrolysis cell (SOEC) as an electrochemical energy conversion device has attracted increasing attention due to its large current density, high Faradaic efficiency and energy efficiency. Oxygen evolution reaction at the anode, a four-electron transfer process, is an important half-reaction for SOEC, which contributes to the main polarization resistance and consumes most electric energy during the electrolysis process. Hence, designing anode materials with high activity and stability is crucial for the performance improvement and practical application of SOEC. Recently, some advances have been made in the development of high-performance anode. In the current review, the mechanisms for CO_{2 …}

Anodic Electrocatalysis Of Glycerol Oxidation For Hybrid Alkali/Acid Electrolytic Hydrogen Generation, Xin Feng, Bo-Wen Liu, Ke-Xin Guo, Lin-Feng Fan, Gen-Xiang Wang, Su-Qin Ci, Zhen-Hai Wen

Journal of Electrochemistry

Electrolytic hydrogen production is heavily restricted by high-energy consumption majorly due to the relatively high potential of anodic oxygen evolution reaction (OER). Development of OER-alternative reaction at the anode has been recently proposed as a promising pathway to address the associated issues. In this work, we report a hybrid acid/alkali dual-electrolyte electrolyzer by coupling acidic hydrogen evolution reaction (HER) using commercial Pt/C cathode with alkaline Electrocatalytic glycerol oxidation (GOR) which is implemented by developing a nickel foam (NF) supporting Co₃O₄ nanosheets anode that shows low overpotential and high selectivity toward GOR for formate production. The hybrid acid/alkali …