Calcium-decorated graphene-based nanostructures for hydrogen storage

Nano Letters
Hoonkyung LeeSteven G Louie

Abstract

We report a first-principles study of hydrogen storage media consisting of calcium atoms and graphene-based nanostructures. We find that Ca atoms prefer to be individually adsorbed on the zigzag edge of graphene with a Ca-Ca distance of 10 A without clustering of the Ca atoms, and up to six H(2) molecules can bind to a Ca atom with a binding energy of approximately 0.2 eV/H(2). A Ca-decorated zigzag graphene nanoribbon (ZGNR) can reach the gravimetric capacity of approximately 5 wt % hydrogen. We also consider various edge geometries of the graphene for Ca dispersion.

References

Jun 15, 1992·Physical Review. B, Condensed Matter·J P Perdew, Y Wang
Nov 20, 2001·Nature·L Schlapbach, A Züttel
May 17, 2003·Science·Nathaniel L RosiOmar M Yaghi
May 5, 2005·Journal of the American Chemical Society·Steven S Kaye, Jeffrey R Long
May 21, 2005·Physical Review Letters·Yufeng ZhaoS B Zhang
May 21, 2005·Physical Review Letters·T Yildirim, S Ciraci
Oct 20, 2005·Journal of the American Chemical Society·Qiang SunYoshiyuki Kawazoe
Feb 21, 2006·Physical Review Letters·Yong-Hyun KimS B Zhang
Jul 27, 2006·Journal of the American Chemical Society·Qiang SunManuel Marquez
Sep 7, 2006·Journal of the American Chemical Society·Xin HuDavid M Antonelli
Oct 10, 2006·Physical Review Letters·Hoonkyung LeeJisoon Ihm
Nov 17, 2006·Nature·Young-Woo SonSteven G Louie
Dec 13, 2006·Physical Review Letters·E DurgunT Yildirim
Feb 24, 2007·Nano Letters·Sheng MengZhenyu Zhang
Jul 5, 2007·Journal of the American Chemical Society·Noejung ParkSeung-Hoon Jhi
Aug 28, 2007·Nano Letters·Mina YoonZhenyu Zhang
Dec 19, 2007·Nano Letters·K R S Chandrakumar, Swapan K Ghosh
May 9, 2008·Journal of the American Chemical Society·Ahmad HamaedDavid M Antonelli
Aug 8, 2008·Journal of the American Chemical Society·Sang Soo HanWilliam A Goddard
Nov 13, 2008·Physical Review Letters·Li YangSteven G Louie
Mar 28, 2009·Science·Caglar O GiritA Zettl
Apr 17, 2009·Nature·Dmitry V KosynkinJames M Tour
Apr 17, 2009·Nature·Liying JiaoHongjie Dai
May 14, 2009·Physical Review Letters·Seon-Myeong Choi, Seung-Hoon Jhi
Feb 10, 2009·Journal of Chemical Theory and Computation·Qian WangYoshiyuki Kawazoe

❮ Previous
Next ❯

Citations

Nov 23, 2013·The Journal of Physical Chemistry. a·Qianku HuJulong He
May 20, 2011·Langmuir : the ACS Journal of Surfaces and Colloids·Zheng-Hong HuangFeiyu Kang
Jun 9, 2011·Nano Letters·Pavel B SorokinBoris I Yakobson
Oct 13, 2011·Nano Letters·Mauro RiccòOleg V Yazyev
Aug 25, 2011·Chemical Communications : Chem Comm·Yunxing LiGi Xue
Nov 20, 2012·Proceedings of the National Academy of Sciences of the United States of America·Noejung ParkJisoon Ihm
Jul 5, 2013·The Journal of Chemical Physics·Jia-Jia ZhengXingfa Gao
Mar 16, 2016·The Journal of Physical Chemistry. a·Tanveer HussainKeisuke Takahashi
Jun 2, 2016·ACS Applied Materials & Interfaces·Chunyu ZhouXiaoyu Cui
May 3, 2012·Langmuir : the ACS Journal of Surfaces and Colloids·Vinayan Bhagavathi ParambhathS Ramaprabhu
Sep 10, 2016·ACS Applied Materials & Interfaces·Chunyu Zhou, Jerzy A Szpunar
Jul 29, 2017·Physical Chemistry Chemical Physics : PCCP·C M Ramos-CastilloR de Coss
May 10, 2018·Physical Chemistry Chemical Physics : PCCP·Zhe ShengYue Hao
Nov 18, 2017·Scientific Reports·Michael Rivera MananghayaCatherine Stampfl
Oct 27, 2016·Physical Chemistry Chemical Physics : PCCP·Jahyun KooHoonkyung Lee
May 29, 2018·Nanotechnology·P PanigrahiT Hussain
Sep 7, 2013·Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry·Tanveer HussainRajeev Ahuja
Jun 1, 2019·Physical Chemistry Chemical Physics : PCCP·Qingqing WangTao Gao
Oct 5, 2013·Physical Chemistry Chemical Physics : PCCP·Tanveer HussainRajeev Ahuja
Nov 27, 2014·Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry·Tanveer HussainRajeev Ahuja
Nov 2, 2019·Physical Chemistry Chemical Physics : PCCP·Junyu ChenXiaowei Liu
Jun 9, 2020·Physical Chemistry Chemical Physics : PCCP·Song HuYanmin Kuang
Feb 9, 2012·Chemistry : a European Journal·Ji-Wook JangJae Sung Lee
Nov 21, 2012·Physical Chemistry Chemical Physics : PCCP·Valentina Tozzini, Vittorio Pellegrini
Nov 8, 2014·Physical Chemistry Chemical Physics : PCCP·Divya P, S Ramaprabhu
Jul 20, 2018·Journal of Molecular Modeling·Yao-Dong SongQian-Ting Wang
Nov 9, 2019·Physical Chemistry Chemical Physics : PCCP·R Varunaa, P Ravindran
Dec 12, 2012·Physical Chemistry Chemical Physics : PCCP·Sunwoo KangJin Yong Lee
Jun 27, 2013·Physical Chemistry Chemical Physics : PCCP·Dongseong KimYong-Chae Chung
Mar 5, 2013·Chemical Society Reviews·Qifeng ZhangGuozhong Cao
Dec 31, 2015·Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry·Pitphichaya SuksaengratRajeev Ahuja
Apr 9, 2020·Journal of Molecular Modeling·Fatemeh YasarehReza Behjatmanesh-Ardakani
Jan 6, 2012·Nanoscale·Menghao WuXiao Cheng Zeng
Jan 25, 2013·Physical Chemistry Chemical Physics : PCCP·Sangho LeeYong-Chae Chung
Sep 5, 2014·Journal of Physics. Condensed Matter : an Institute of Physics Journal·Hunpyo LeeHoonkyung Lee

❮ Previous
Next ❯

Related Concepts

Trending Feeds

COVID-19

Coronaviruses encompass a large family of viruses that cause the common cold as well as more serious diseases, such as the ongoing outbreak of coronavirus disease 2019 (COVID-19; formally known as 2019-nCoV). Coronaviruses can spread from animals to humans; symptoms include fever, cough, shortness of breath, and breathing difficulties; in more severe cases, infection can lead to death. This feed covers recent research on COVID-19.

Blastomycosis

Blastomycosis fungal infections spread through inhaling Blastomyces dermatitidis spores. Discover the latest research on blastomycosis fungal infections here.

Nuclear Pore Complex in ALS/FTD

Alterations in nucleocytoplasmic transport, controlled by the nuclear pore complex, may be involved in the pathomechanism underlying multiple neurodegenerative diseases including Amyotrophic Lateral Sclerosis and Frontotemporal Dementia. Here is the latest research on the nuclear pore complex in ALS and FTD.

Applications of Molecular Barcoding

The concept of molecular barcoding is that each original DNA or RNA molecule is attached to a unique sequence barcode. Sequence reads having different barcodes represent different original molecules, while sequence reads having the same barcode are results of PCR duplication from one original molecule. Discover the latest research on molecular barcoding here.

Chronic Fatigue Syndrome

Chronic fatigue syndrome is a disease characterized by unexplained disabling fatigue; the pathology of which is incompletely understood. Discover the latest research on chronic fatigue syndrome here.

Evolution of Pluripotency

Pluripotency refers to the ability of a cell to develop into three primary germ cell layers of the embryo. This feed focuses on the mechanisms that underlie the evolution of pluripotency. Here is the latest research.

Position Effect Variegation

Position Effect Variagation occurs when a gene is inactivated due to its positioning near heterochromatic regions within a chromosome. Discover the latest research on Position Effect Variagation here.

STING Receptor Agonists

Stimulator of IFN genes (STING) are a group of transmembrane proteins that are involved in the induction of type I interferon that is important in the innate immune response. The stimulation of STING has been an active area of research in the treatment of cancer and infectious diseases. Here is the latest research on STING receptor agonists.

Microbicide

Microbicides are products that can be applied to vaginal or rectal mucosal surfaces with the goal of preventing, or at least significantly reducing, the transmission of sexually transmitted infections. Here is the latest research on microbicides.