Details
| Original language | English |
|---|---|
| Pages (from-to) | 22-28 |
| Number of pages | 7 |
| Journal | Materials Today Energy |
| Volume | 8 |
| Early online date | 19 Feb 2018 |
| Publication status | Published - Jun 2018 |
| Externally published | Yes |
Abstract
Fast-growing electronics industry and future energy storage needs have encouraged the design of rechargeable batteries with higher storage capacities, and longer life times. In this regard, two-dimensional (2D) materials, specifically boron and carbon nanosheets, have garnered enthusiasm due to their fascinating electronic, optical, mechanical and chemical properties. Recently, a hydrogen boride (HB) nanosheet was successfully fabricated showing remarkable stability and superior physical properties. Motivated by this experimental study, we used first principle electronic structure calculations to study the feasibility of this nanosheet to serve as an anode material for Li/Na/Ca/Mg/Al ion batteries. Most active adsorption sites for single adatoms were evaluated and next adatoms were gradually inserted into the anode surface accordingly. The charge transfer, electronic density of sates, storage capacity, structural stability, open-circuit potential and diffusion energy barriers were explored. Our theoretical study predicts that HB shows outstanding electrode properties for Li and Na ion batteries. The intercalation of both Li and Na adatoms into the HB monolayer can lead to a high identical storage capacity of 1133.8 mAh/g which is promising compared to the capacities of the traditional anode materials; such as graphite (372 mAh/g) and TiO2 (200 mAh/g), and other 2D materials; such as germanene (369 mAh/g), stanene (226 mAh/g), and phosphorene (432.8 mAh/g) nanosheets. These results may open a new horizon for the design of rechargeable batteries with higher storage capacitates.
ASJC Scopus subject areas
- Energy(all)
- Renewable Energy, Sustainability and the Environment
- Materials Science(all)
- Materials Science (miscellaneous)
- Energy(all)
- Nuclear Energy and Engineering
- Energy(all)
- Fuel Technology
- Energy(all)
- Energy Engineering and Power Technology
Sustainable Development Goals
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In: Materials Today Energy, Vol. 8, 06.2018, p. 22-28.
Research output: Contribution to journal › Article › Research › peer review
}
TY - JOUR
T1 - 2D Hydrogenated graphene-like borophene as a high capacity anode material for improved Li/Na ion batteries
T2 - A first principles study
AU - Makaremi, Meysam
AU - Mortazavi, Bohayra
AU - Singh, Chandra Veer
N1 - Funding Information: MM and CVS gratefully acknowledge their financial support in parts by Natural Sciences and Engineering Council of Canada (NSERC) , University of Toronto , Connaught Global Challenge Award , and Hart Professorship . The computations were carried out through Compute Canada facilities, particularly SciNet and Calcul-Quebec. SciNet is funded by the Canada Foundation for Innovation , NSERC , the Government of Ontario , Fed Dev Ontario , and the University of Toronto , and we gratefully acknowledge the continued support of these supercomputing facilities. BM greatly acknowledges the financial support by European Research Council for COMBAT project (Grant number 615132 ).
PY - 2018/6
Y1 - 2018/6
N2 - Fast-growing electronics industry and future energy storage needs have encouraged the design of rechargeable batteries with higher storage capacities, and longer life times. In this regard, two-dimensional (2D) materials, specifically boron and carbon nanosheets, have garnered enthusiasm due to their fascinating electronic, optical, mechanical and chemical properties. Recently, a hydrogen boride (HB) nanosheet was successfully fabricated showing remarkable stability and superior physical properties. Motivated by this experimental study, we used first principle electronic structure calculations to study the feasibility of this nanosheet to serve as an anode material for Li/Na/Ca/Mg/Al ion batteries. Most active adsorption sites for single adatoms were evaluated and next adatoms were gradually inserted into the anode surface accordingly. The charge transfer, electronic density of sates, storage capacity, structural stability, open-circuit potential and diffusion energy barriers were explored. Our theoretical study predicts that HB shows outstanding electrode properties for Li and Na ion batteries. The intercalation of both Li and Na adatoms into the HB monolayer can lead to a high identical storage capacity of 1133.8 mAh/g which is promising compared to the capacities of the traditional anode materials; such as graphite (372 mAh/g) and TiO2 (200 mAh/g), and other 2D materials; such as germanene (369 mAh/g), stanene (226 mAh/g), and phosphorene (432.8 mAh/g) nanosheets. These results may open a new horizon for the design of rechargeable batteries with higher storage capacitates.
AB - Fast-growing electronics industry and future energy storage needs have encouraged the design of rechargeable batteries with higher storage capacities, and longer life times. In this regard, two-dimensional (2D) materials, specifically boron and carbon nanosheets, have garnered enthusiasm due to their fascinating electronic, optical, mechanical and chemical properties. Recently, a hydrogen boride (HB) nanosheet was successfully fabricated showing remarkable stability and superior physical properties. Motivated by this experimental study, we used first principle electronic structure calculations to study the feasibility of this nanosheet to serve as an anode material for Li/Na/Ca/Mg/Al ion batteries. Most active adsorption sites for single adatoms were evaluated and next adatoms were gradually inserted into the anode surface accordingly. The charge transfer, electronic density of sates, storage capacity, structural stability, open-circuit potential and diffusion energy barriers were explored. Our theoretical study predicts that HB shows outstanding electrode properties for Li and Na ion batteries. The intercalation of both Li and Na adatoms into the HB monolayer can lead to a high identical storage capacity of 1133.8 mAh/g which is promising compared to the capacities of the traditional anode materials; such as graphite (372 mAh/g) and TiO2 (200 mAh/g), and other 2D materials; such as germanene (369 mAh/g), stanene (226 mAh/g), and phosphorene (432.8 mAh/g) nanosheets. These results may open a new horizon for the design of rechargeable batteries with higher storage capacitates.
UR - http://www.scopus.com/inward/record.url?scp=85042195179&partnerID=8YFLogxK
U2 - 10.1016/j.mtener.2018.02.003
DO - 10.1016/j.mtener.2018.02.003
M3 - Article
AN - SCOPUS:85042195179
VL - 8
SP - 22
EP - 28
JO - Materials Today Energy
JF - Materials Today Energy
ER -