Carbon-free and two-dimensional cathode structure based on silicene for lithium–oxygen batteries: A first-principles calculation

Hwang, Yubin; Yun, Kyung-Han; Chung, Yong‐Chae

doi:10.1016/j.jpowsour.2014.11.016

Cited by 39 publications

(28 citation statements)

References 60 publications

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“…Hwang et al. recently proposed silicene cathode materials based on first‐principle calculations . Silicene‐based electrodes could theoretically avoid side reactions, such as the formation of carbonate‐like species, which makes them good candidates to replace carbon.…”

Section: Carbon‐free Electrode Materialsmentioning

confidence: 99%

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Carbon‐Free Cathodes: A Step Forward in the Development of Stable Lithium–Oxygen Batteries

et al. 2015

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Lithium-oxygen (Li-O2 ) batteries are receiving considerable interest owing to their potential for higher energy densities than current Li-ion systems. However, the lack stability of carbon-based oxygen electrodes is believed to promote carbonate formation leading to capacity fade and limiting the cycling performance of the battery. To improve the stability and cyclability of these systems, alternative electrode materials are required. Metal oxides are mainly utilized at low current densities, whereas noble metals show outstanding performance at high current densities. Carbides appear to provide a good compromise between electrochemical performance and cost, which makes them interesting materials for further investigations. Here, a critical review of current carbon-free electrode research is provided with the goal of identifying routes to its successful optimization.

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Section: Carbon‐free Electrode Materialsmentioning

confidence: 99%

“…Computational studies performed by Hwang et al. evidence that, unlike graphene, this material shows catalytic activity towards ORR and OER, which could enhance the cycle life of these batteries . This work opens a new venue to study these materials that may become a research focus in the field.…”

Section: Carbon‐free Electrode Materialsmentioning

confidence: 99%

Carbon‐Free Cathodes: A Step Forward in the Development of Stable Lithium–Oxygen Batteries

et al. 2015

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“…These additional reaction products can result in polarization on the subsequent charge and dramatically decrease the cycling performance. Therefore, designing a carbon‐free air electrode is one method to avoid these problems . As shown in Figure 10 , a stable TiC‐based catalyst was thus employed as an air electrode, which showed excellent round‐trip efficiency and cycling performance.…”

Section: Air Electrode Designmentioning

confidence: 99%

Investigation of Promising Air Electrode for Realizing Ultimate Lithium Oxygen Battery

Luo

Gao

Chou

et al. 2017

Advanced Energy Materials

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particularly when they are operated in air atmosphere rather than pure oxygen atmosphere, this unique battery chemistry and electrode architecture still offer one of the most promising opportunities. The main reason is that the Li-O 2 battery has the ability to provide enough energy for electric vehicles to drive more than 500 miles per charge. [3,4] Generally speaking, lithium oxygen batteries can be classified into four different categories based on the electrolyte used in the batteries: non-aqueous, aqueous, hybrid, and all-solid-state. [4][5][6] This review is focused on the non-aqueous Li-O 2 batteries, which are attracting most of the research effort. The non-aqueous Li-O 2 battery system possesses a relatively simple structure, which is similar to that for Li-ion batteries except that the cathode is exposed to air or oxygen. As shown in Figure 1a, the nonaqueous Li-O 2 battery is typically composed of a porous air cathode open to O 2 in the atmosphere, a lithium metal or alloy anode, and a lithium-ion-conducting electrolyte between the two electrodes. In order to avoid the influence of other factors, such as CO 2 , N 2 , and moisture in the air, a gas filter membrane is necessary to purify the reaction source, not only preventing electrolyte evaporation but also protecting the whole battery system. [4][5][6][7] There have been a number of achievements during the last several years, focusing on optimizing the round-trip efficiency, energy density, and cycling lifetime. They include improved design of the air electrode structure, electrocatalyst optimization, stable electrolyte development, lithium metal anode replacement, and exploration of the reaction mechanism. At present, however, there are still several significant problems facing the lithium oxygen battery and obstructing its further application. [1,6,[8][9][10][11][12] In the cathode, large amounts of insulating and insoluble reaction products deposited on the air electrode passivate the electrocatalytically active points and lead to serious blockage of gas and electrolyte diffusion pathways. Furthermore, after it is fully clogged by the deposition of insulating reaction products, the air electrode becomes cut off from the oxygen gas and electrolyte. Thus, the capacity of the cathode is dramatically influenced by its ability to accommodate the reaction products. In addition, in this oxygen-enriched electrochemical environment, there are some secondary reactions accompanied by nucleophilic attack from highly reactive intermediate radicals, which will dramatically influence the The non-aqueous lithium oxygen battery has been considered as one of the most promising energy storage systems owing to its potentially high energy density, exceeding that of any other existing storage system for storing sustainable and clean energy. The success of Li-O 2 batteries could efficiently reduce greenhouse gas emissions and the consumption of non-renewable fossil fuels. How to achieve high round-trip efficiency, high capacity, and satisfactory cycling performance, how...

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“…No entanto, para que possam ser empregadas em sistemas de grande escala e potência, como em veículo elétrico hibrido (PHEV) ou veículo elétrico (PEV),é necessário o desenvolvimento de baterias visando a melhoria do rendimento, segurança, custo benefício dentre outros fatores [1]. Por exemplo, a densidade de energia fornecida por uma bateria deíons de Lié de 387 Wh/kg, enquanto que sistemas que utilizam gasolina ou diesel, este valoré de 12.200 Wh/kg e 13.762 Wh/kg, respectivamente [2]. Estes objetivos têm incentivado o desenvolvimento de novos materiais de baixo custo, especialmente aquelas destinadas para aplicação naárea de transporte.…”

Section: Capítulo Introduçãounclassified

“…Recentemente, uma nova forma de silício cristalino, o siliceno, foi obtida experimentalmente [12]. O siliceno, devido a sua estrutura favo de mel em duas dimensões, apresenta algumas propriedades importantes para compor oânodo de LIB´s como, por exemplo, ser um semicondutor de gap nulo e ter alta condutividade térmica e elétrica [2]. Portanto, o siliceno seria, a princípio, umótimo substituto do carbono noânodo.…”

Section: Capítulo Introduçãounclassified

Investigação teórica de nanoestruturas do tipo grafeno para aplicação em baterias de íons de lítio

Ipaves¹,

Assali²

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A maior parte da energia consumida no mundo provém da queima de combustíveis fósseis, responsáveis pelo desenvolvimento da sociedade moderna, mas, também, por diversos danos ao meio ambiente. Desse modo, a exploração de fontes limpas e alternativas de energia renovável, tais como a solar e a eólica, tem ganhado grande importância e atenção dos pesquisadores nosúltimos anos. Entretanto, o armazenamento destas formas de energia precisa ser eficiente, para que possam ser utilizadas nos períodos de indisponibilidade da fonte. Neste sentido, as baterias são uma das mais eficazes formas de geração e armazenamento de energias renováveis. No entanto, seu uso aindaé limitado, principalmente para aplicação em veículos automotores, que são um dos responsáveis pela emissão de gases poluentes. O principal fator limitante está relacionadoàs baixas densidades energéticas nos materiais utilizados para compor os elementos das baterias modernas. O desenvolvimento experimental de novos materiais, para este fim,é um trabalho demorado e caro, de tal forma que métodos teóricos têm sido usados com sucesso para prever o comportamento de novos materiais, apropriados para utilização como componentes básicos das baterias. Neste projeto serão investigados, teoricamente, materiais nanoestruturados para aplicação como eletrodos de baterias deíons de lítio, uma das formas mais populares de baterias atualmente. Neste trabalho apresentamos as propriedades estruturais, eletrônicas e vibracionais da grafite e dos sistemas bidimensionais grafeno, SiC e CN utilizando cálculos ab initio baseados na teoria do funcional da densidade, onde se utilizou o método de pseudopotencial PAW (Projector Augmented Wave) e aproximação van der Waals (optB88-vdW) para o termo de troca-correlação. A grafite e o grafeno foram estu-dados para validar o método aplicado, o qual foi usado para estudar as estruturas de SiC (bicamadas) e CN (monocamada e bicamada) como possíveis nanomateriais para comporânodos de baterias deíons de lítio. Estudamos a adsorção de Li nas bicamadas de SiC em diferentes sítios encontrando a posição estável e as possíveis vantagens e desvantagens de utilizá-las comô anodos de baterias deíons de lítio. As estruturas CN não se mostraram ser sistemas viáveis, uma vez que são dinamicamente instáveis. No entanto, estudamos as propriedades de camadas de CN hidrogenadas, que são dinamicamente estáveis e possíveis candidatas para aplicação em baterias de lítio.

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Carbon-free and two-dimensional cathode structure based on silicene for lithium–oxygen batteries: A first-principles calculation

Cited by 39 publications

References 60 publications

Carbon‐Free Cathodes: A Step Forward in the Development of Stable Lithium–Oxygen Batteries

Carbon‐Free Cathodes: A Step Forward in the Development of Stable Lithium–Oxygen Batteries

Investigation of Promising Air Electrode for Realizing Ultimate Lithium Oxygen Battery

Investigação teórica de nanoestruturas do tipo grafeno para aplicação em baterias de íons de lítio

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