Tailoring Storage Capacity and Ion Kinetics in Graphene Heterostructures by Functionalization of Graphene
- Publication Date:
- Sponsoring Org.:
- USDOE
- OSTI Identifier:
- 1563041
- Grant/Contract Number:
- AC02-06CH11357
- Resource Type:
- Publisher's Accepted Manuscript
- Journal Name:
- Physical Review Applied
- Additional Journal Information:
- Journal Name: Physical Review Applied Journal Volume: 12 Journal Issue: 1; Journal ID: ISSN 2331-7019
- Publisher:
- American Physical Society
- Country of Publication:
- United States
- Language:
- English
Citation Formats
Sevik, Cem, and Çakır, Deniz. Tailoring Storage Capacity and Ion Kinetics in Ti 2 CO 2 / Graphene Heterostructures by Functionalization of Graphene. United States: N. p., 2019.
Web. doi:10.1103/PhysRevApplied.12.014001.
Sevik, Cem, & Çakır, Deniz. Tailoring Storage Capacity and Ion Kinetics in Ti 2 CO 2 / Graphene Heterostructures by Functionalization of Graphene. United States. doi:10.1103/PhysRevApplied.12.014001.
Sevik, Cem, and Çakır, Deniz. Mon .
"Tailoring Storage Capacity and Ion Kinetics in Ti 2 CO 2 / Graphene Heterostructures by Functionalization of Graphene". United States. doi:10.1103/PhysRevApplied.12.014001.
@article{osti_1563041,
title = {Tailoring Storage Capacity and Ion Kinetics in Ti 2 CO 2 / Graphene Heterostructures by Functionalization of Graphene},
author = {Sevik, Cem and Çakır, Deniz},
abstractNote = {},
doi = {10.1103/PhysRevApplied.12.014001},
journal = {Physical Review Applied},
number = 1,
volume = 12,
place = {United States},
year = {2019},
month = {7}
}
Free Publicly Available Full Text
Publisher's Version of Record
DOI: 10.1103/PhysRevApplied.12.014001
DOI: 10.1103/PhysRevApplied.12.014001
Other availability
Search WorldCat to find libraries that may hold this journal
Cited by: 1 work
Citation information provided by
Web of Science
Web of Science
Save to My Library
You must Sign In or Create an Account in order to save documents to your library.
Works referenced in this record:
Mechanisms for Lithium Insertion in Carbonaceous Materials
journal, October 1995
- Dahn, J. R.; Zheng, T.; Liu, Y.
- Science, Vol. 270, Issue 5236
Generalized Gradient Approximation Made Simple
journal, October 1996
- Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias
- Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868
Challenges for Rechargeable Li Batteries
journal, February 2010
- Goodenough, John B.; Kim, Youngsik
- Chemistry of Materials, Vol. 22, Issue 3, p. 587-603
Ion Intercalation into Two-Dimensional Transition-Metal Carbides: Global Screening for New High-Capacity Battery Materials
journal, October 2014
- Eames, Christopher; Islam, M. Saiful
- Journal of the American Chemical Society, Vol. 136, Issue 46
Li Absorption and Intercalation in Single Layer Graphene and Few Layer Graphene by First Principles
journal, January 2012
- Lee, Eunseok; Persson, Kristin A.
- Nano Letters, Vol. 12, Issue 9
Issues and challenges facing rechargeable lithium batteries
journal, November 2001
- Tarascon, J.-M.; Armand, M.
- Nature, Vol. 414, Issue 6861, p. 359-367
Vibrational and mechanical properties of single layer MXene structures: a first-principles investigation
journal, July 2016
- Yorulmaz, Uğur; Özden, Ayberk; Perkgöz, Nihan K.
- Nanotechnology, Vol. 27, Issue 33
A grid-based Bader analysis algorithm without lattice bias
journal, January 2009
- Tang, W.; Sanville, E.; Henkelman, G.
- Journal of Physics: Condensed Matter, Vol. 21, Issue 8
Visualizing Individual Nitrogen Dopants in Monolayer Graphene
journal, August 2011
- Zhao, L.; He, R.; Rim, K. T.
- Science, Vol. 333, Issue 6045
Role of Surface Structure on Li-Ion Energy Storage Capacity of Two-Dimensional Transition-Metal Carbides
journal, April 2014
- Xie, Yu; Naguib, Michael; Mochalin, Vadym N.
- Journal of the American Chemical Society, Vol. 136, Issue 17
Atomic Cobalt Covalently Engineered Interlayers for Superior Lithium-Ion Storage
journal, June 2018
- Wang, Changda; Xie, Hui; Chen, Shuangming
- Advanced Materials, Vol. 30, Issue 32
Cation Intercalation and High Volumetric Capacitance of Two-Dimensional Titanium Carbide
journal, September 2013
- Lukatskaya, M. R.; Mashtalir, O.; Ren, C. E.
- Science, Vol. 341, Issue 6153
Two-Dimensional Transition Metal Carbides
journal, January 2012
- Naguib, Michael; Mashtalir, Olha; Carle, Joshua
- ACS Nano, Vol. 6, Issue 2
Lithium Adsorption on Graphene at Finite Temperature
journal, August 2018
- Shaidu, Yusuf; Küçükbenli, Emine; de Gironcoli, Stefano
- The Journal of Physical Chemistry C, Vol. 122, Issue 36
A fast and robust algorithm for Bader decomposition of charge density
journal, June 2006
- Henkelman, Graeme; Arnaldsson, Andri; Jónsson, Hannes
- Computational Materials Science, Vol. 36, Issue 3
Two-dimensional heterostructures for energy storage
journal, June 2017
- Pomerantseva, Ekaterina; Gogotsi, Yury
- Nature Energy, Vol. 2, Issue 7
Two-Dimensional MXene with Controlled Interlayer Spacing for Electrochemical Energy Storage
journal, February 2017
- Simon, Patrice
- ACS Nano, Vol. 11, Issue 3
A climbing image nudged elastic band method for finding saddle points and minimum energy paths
journal, December 2000
- Henkelman, Graeme; Uberuaga, Blas P.; Jónsson, Hannes
- The Journal of Chemical Physics, Vol. 113, Issue 22, p. 9901-9904
“Protrusions” or “holes” in graphene: which is the better choice for sodium ion storage?
journal, January 2017
- Yang, Yijun; Tang, Dai-Ming; Zhang, Chao
- Energy & Environmental Science, Vol. 10, Issue 4
MXene: A New Family of Promising Hydrogen Storage Medium
journal, December 2013
- Hu, Qianku; Sun, Dandan; Wu, Qinghua
- The Journal of Physical Chemistry A, Vol. 117, Issue 51
MXenes/graphene heterostructures for Li battery applications: a first principles study
journal, January 2018
- Aierken, Yierpan; Sevik, Cem; Gülseren, Oğuz
- Journal of Materials Chemistry A, Vol. 6, Issue 5
Ultrathin MXene-Micropattern-Based Field-Effect Transistor for Probing Neural Activity
journal, February 2016
- Xu, Bingzhe; Zhu, Minshen; Zhang, Wencong
- Advanced Materials, Vol. 28, Issue 17
Electromagnetic interference shielding with 2D transition metal carbides (MXenes)
journal, September 2016
- Shahzad, F.; Alhabeb, M.; Hatter, C. B.
- Science, Vol. 353, Issue 6304
Pseudocapacitance of MXene nanosheets for high-power sodium-ion hybrid capacitors
journal, April 2015
- Wang, Xianfen; Kajiyama, Satoshi; Iinuma, Hiroki
- Nature Communications, Vol. 6, Issue 1
Can all nitrogen-doped defects improve the performance of graphene anode materials for lithium-ion batteries?
journal, January 2013
- Yu, Yang-Xin
- Physical Chemistry Chemical Physics, Vol. 15, Issue 39
Two-dimensional MXenes for energy storage and conversion applications
journal, September 2017
- Sun, Yijing; Chen, Dongsheng; Liang, Ziqi
- Materials Today Energy, Vol. 5
Li intercalation in graphite: A van der Waals density-functional study
journal, October 2014
- Hazrati, E.; de Wijs, G. A.; Brocks, G.
- Physical Review B, Vol. 90, Issue 15
Effect of the damping function in dispersion corrected density functional theory
journal, March 2011
- Grimme, Stefan; Ehrlich, Stephan; Goerigk, Lars
- Journal of Computational Chemistry, Vol. 32, Issue 7
Two-Dimensional Titanium Carbide MXene As a Cathode Material for Hybrid Magnesium/Lithium-Ion Batteries
journal, June 2016
- Byeon, Ayeong; Zhao, Meng-Qiang; Ren, Chang E.
- ACS Applied Materials & Interfaces, Vol. 9, Issue 5
Determination of Dynamically Stable Electrenes toward Ultrafast Charging Battery Applications
journal, July 2018
- Kocabaş, Tuğbey; Özden, Ayberk; Demiroğlu, İlker
- The Journal of Physical Chemistry Letters, Vol. 9, Issue 15
Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
journal, July 1996
- Kresse, G.; Furthmüller, J.
- Computational Materials Science, Vol. 6, Issue 1, p. 15-50
Tuning the Doping Types in Graphene Sheets by N Monoelement
journal, December 2017
- Ma, Chuanxu; Liao, Qing; Sun, Haifeng
- Nano Letters, Vol. 18, Issue 1
Achieving Fast Kinetics and Enhanced Li Storage Capacity for Ti 3 C 2 O 2 by Intercalation of Quinone Molecules
journal, January 2019
- Siriwardane, Edirisuriya M. D.; Demiroglu, Ilker; Sevik, Cem
- ACS Applied Energy Materials, Vol. 2, Issue 2
Electronic properties and applications of MXenes: a theoretical review
journal, January 2017
- Khazaei, Mohammad; Ranjbar, Ahmad; Arai, Masao
- Journal of Materials Chemistry C, Vol. 5, Issue 10
Pillared Structure Design of MXene with Ultralarge Interlayer Spacing for High-Performance Lithium-Ion Capacitors
journal, January 2017
- Luo, Jianmin; Zhang, Wenkui; Yuan, Huadong
- ACS Nano, Vol. 11, Issue 3
Special points for Brillouin-zone integrations
journal, June 1976
- Monkhorst, Hendrik J.; Pack, James D.
- Physical Review B, Vol. 13, Issue 12, p. 5188-5192
Layer Number Dependence of Li + Intercalation on Few-Layer Graphene and Electrochemical Imaging of Its Solid–Electrolyte Interphase Evolution
journal, March 2016
- Hui, Jingshu; Burgess, Mark; Zhang, Jiarui
- ACS Nano, Vol. 10, Issue 4
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
journal, October 1996
- Kresse, G.; Furthmüller, J.
- Physical Review B, Vol. 54, Issue 16, p. 11169-11186
Improved performance of graphene doped with pyridinic N for Li-ion battery: a density functional theory model
journal, January 2013
- Kong, Xiang-kai; Chen, Qian-wang
- Physical Chemistry Chemical Physics, Vol. 15, Issue 31
Superior cycle stability of nitrogen-doped graphene nanosheets as anodes for lithium ion batteries
journal, August 2011
- Li, Xifei; Geng, Dongsheng; Zhang, Yong
- Electrochemistry Communications, Vol. 13, Issue 8, p. 822-825
Synthesis Of Nitrogen-Doped Graphene Films For Lithium Battery Application
journal, October 2010
- Reddy, Arava Leela Mohana; Srivastava, Anchal; Gowda, Sanketh R.
- ACS Nano, Vol. 4, Issue 11
25th Anniversary Article: MXenes: A New Family of Two-Dimensional Materials
journal, December 2013
- Naguib, Michael; Mochalin, Vadym N.; Barsoum, Michel W.
- Advanced Materials, Vol. 26, Issue 7, p. 992-1005
Atomically controlled substitutional boron-doping of graphene nanoribbons
journal, August 2015
- Kawai, Shigeki; Saito, Shohei; Osumi, Shinichiro
- Nature Communications, Vol. 6, Issue 1
Doped Graphene Sheets As Anode Materials with Superhigh Rate and Large Capacity for Lithium Ion Batteries
journal, June 2011
- Wu, Zhong-Shuai; Ren, Wencai; Xu, Li
- ACS Nano, Vol. 5, Issue 7
Feasibility of Lithium Storage on Graphene and Its Derivatives
journal, May 2013
- Liu, Yuanyue; Artyukhov, Vasilii I.; Liu, Mingjie
- The Journal of Physical Chemistry Letters, Vol. 4, Issue 10
Sodium-Ion Intercalation Mechanism in MXene Nanosheets
journal, February 2016
- Kajiyama, Satoshi; Szabova, Lucie; Sodeyama, Keitaro
- ACS Nano, Vol. 10, Issue 3
Achieving High Pseudocapacitance of 2D Titanium Carbide (MXene) by Cation Intercalation and Surface Modification
journal, March 2017
- Li, Jian; Yuan, Xiaotao; Lin, Cong
- Advanced Energy Materials, Vol. 7, Issue 15
Are MXenes Promising Anode Materials for Li Ion Batteries? Computational Studies on Electronic Properties and Li Storage Capability of Ti 3 C 2 and Ti 3 C 2 X 2 (X = F, OH) Monolayer
journal, September 2012
- Tang, Qing; Zhou, Zhen; Shen, Panwen
- Journal of the American Chemical Society, Vol. 134, Issue 40
Adsorption and Diffusion of Li on Pristine and Defective Graphene
journal, May 2012
- Fan, Xiaofeng; Zheng, W. T.; Kuo, Jer-Lai
- ACS Applied Materials & Interfaces, Vol. 4, Issue 5
Improved grid-based algorithm for Bader charge allocation
journal, January 2007
- Sanville, Edward; Kenny, Steven D.; Smith, Roger
- Journal of Computational Chemistry, Vol. 28, Issue 5
Alkali Metal Intercalation in MXene/Graphene Heterostructures: A New Platform for Ion Battery Applications
journal, January 2019
- Demiroglu, Ilker; Peeters, François M.; Gülseren, Oğuz
- The Journal of Physical Chemistry Letters, Vol. 10, Issue 4
Ti 3 C 2 MXene as a High Capacity Electrode Material for Metal (Li, Na, K, Ca) Ion Batteries
journal, June 2014
- Er, Dequan; Li, Junwen; Naguib, Michael
- ACS Applied Materials & Interfaces, Vol. 6, Issue 14
Challenges and Recent Progress in the Development of Si Anodes for Lithium-Ion Battery
journal, September 2017
- Jin, Yan; Zhu, Bin; Lu, Zhenda
- Advanced Energy Materials, Vol. 7, Issue 23
Strategies for improving the lithium-storage performance of 2D nanomaterials
journal, July 2017
- Mei, Jun; Zhang, Yuanwen; Liao, Ting
- National Science Review, Vol. 5, Issue 3
Improved tangent estimate in the nudged elastic band method for finding minimum energy paths and saddle points
journal, December 2000
- Henkelman, Graeme; Jónsson, Hannes
- The Journal of Chemical Physics, Vol. 113, Issue 22
2D metal carbides and nitrides (MXenes) for energy storage
journal, January 2017
- Anasori, Babak; Lukatskaya, Maria R.; Gogotsi, Yury
- Nature Reviews Materials, Vol. 2, Issue 2
Direct Synthesis of Bulk Boron-Doped Graphitic Carbon
journal, March 2017
- Stadie, Nicholas P.; Billeter, Emanuel; Piveteau, Laura
- Chemistry of Materials, Vol. 29, Issue 7
MXene: a promising transition metal carbide anode for lithium-ion batteries
journal, March 2012
- Naguib, Michael; Come, Jérémy; Dyatkin, Boris
- Electrochemistry Communications, Vol. 16, Issue 1, p. 61-64
Flexible and conductive MXene films and nanocomposites with high capacitance
journal, November 2014
- Ling, Zheng; Ren, Chang E.; Zhao, Meng-Qiang
- Proceedings of the National Academy of Sciences, Vol. 111, Issue 47
Carbon nanofiber bridged two-dimensional titanium carbide as a superior anode for lithium-ion batteries
journal, January 2015
- Lin, Zongyuan; Sun, Dongfei; Huang, Qing
- Journal of Materials Chemistry A, Vol. 3, Issue 27
Atomistic Origins of High Rate Capability and Capacity of N-Doped Graphene for Lithium Storage
journal, February 2014
- Wang, Xi; Weng, Qunhong; Liu, Xizheng
- Nano Letters, Vol. 14, Issue 3
Prediction and Characterization of MXene Nanosheet Anodes for Non-Lithium-Ion Batteries
journal, August 2014
- Xie, Yu; Dall’Agnese, Yohan; Naguib, Michael
- ACS Nano, Vol. 8, Issue 9
Doped graphenes as anodes with large capacity for lithium-ion batteries
journal, January 2016
- Zhou, Liujiang; Hou, Z. F.; Gao, Bo
- Journal of Materials Chemistry A, Vol. 4, Issue 35
Mo 2 C as a high capacity anode material: a first-principles study
journal, January 2016
- Çakır, Deniz; Sevik, Cem; Gülseren, Oğuz
- Journal of Materials Chemistry A, Vol. 4, Issue 16