Enhanced gas adsorption on graphitic substrates via defects and local curvature: A density functional theory study

Dutta, Debosruti; Wood, Brandon C.; Bhide, Shreyas Y.; Ayappa, K. Ganapathy; Narasimhan, Shobhana

doi:10.1021/jp411338a

Title: Enhanced gas adsorption on graphitic substrates via defects and local curvature: A density functional theory study

Journal Article · Mon Mar 24 00:00:00 EDT 2014 · Journal of Physical Chemistry. C

DOI:https://doi.org/10.1021/jp411338a· OSTI ID:1325864

Dutta, Debosruti ^[1]; Wood, Brandon C. ^[2]; Bhide, Shreyas Y. ^[1]; Ayappa, K. Ganapathy ^[1]; Narasimhan, Shobhana ^[3]

Indian Institute of Science, Bangalore (India)
Jawaharlal Nehru Centre for Advanced Scientific Research, Bangalore (India); Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
Jawaharlal Nehru Centre for Advanced Scientific Research, Bangalore (India)

Using van-der-Waals-corrected density functional theory calculations, we explore the possibility of engineering the local structure and morphology of high-surface-area graphene-derived materials to improve the uptake of methane and carbon dioxide for gas storage and sensing. We test the sensitivity of the gas adsorption energy to the introduction of native point defects, curvature, and the application of strain. The binding energy at topological point defect sites is inversely correlated with the number of missing carbon atoms, causing Stone–Wales defects to show the largest enhancement with respect to pristine graphene (~20%). Improvements of similar magnitude are observed at concavely curved surfaces in buckled graphene sheets under compressive strain, whereas tensile strain tends to weaken gas binding. Trends for CO₂ and CH₄ are similar, although CO₂ binding is generally stronger by ~4 to 5 kJ mol^–1. Furthermore, the differential between the adsorption of CO₂ and CH₄ is much higher on folded graphene sheets and at concave curvatures; this could possibly be leveraged for CH₄/CO₂ flow separation and gas-selective sensors.

View Accepted Manuscript (DOE)

Cite

Export

Save

Research Organization:: Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)

Sponsoring Organization:: USDOE

Grant/Contract Number:: AC52-07NA27344

OSTI ID:: 1325864

Report Number(s):: LLNL-JRNL-643967

Journal Information:: Journal of Physical Chemistry. C, Vol. 118, Issue 15; ISSN 1932-7447

Publisher:: American Chemical SocietyCopyright Statement

Country of Publication:: United States

Language:: English

Citation Metrics:

Cited by: 40 works

Citation information provided by
Web of Science

References (72)

Preparing a Suitable Material Designed for Methane Storage: A Comprehensive Report Celzard, A.; Fierro, V. Energy & Fuels, Vol. 19, Issue 2 https://doi.org/10.1021/ef040045b	journal	March 2005
Carbon Dioxide Capture: Prospects for New Materials D'Alessandro, Deanna M.; Smit, Berend; Long, Jeffrey R. Angewandte Chemie International Edition, Vol. 49, Issue 35, p. 6058-6082 https://doi.org/10.1002/anie.201000431	journal	July 2010
CO2 capture by solid adsorbents and their applications: current status and new trends Wang, Qiang; Luo, Jizhong; Zhong, Ziyi Energy Environ. Sci., Vol. 4, Issue 1 https://doi.org/10.1039/C0EE00064G	journal	January 2011
Activated carbon for gas separation and storage Sircar, S.; Golden, T. C.; Rao, M. B. Carbon, Vol. 34, Issue 1 https://doi.org/10.1016/0008-6223(95)00128-X	journal	January 1996
Gas Storage in Nanoporous Materials Morris, Russell E.; Wheatley, Paul S. Angewandte Chemie International Edition, Vol. 47, Issue 27 https://doi.org/10.1002/anie.200703934	journal	June 2008
Fluorinated and Nanoporous Graphene Materials As Sorbents for Gas Separations Schrier, Joshua ACS Applied Materials & Interfaces, Vol. 3, Issue 11 https://doi.org/10.1021/am2011349	journal	October 2011
Advances in the study of methane storage in porous carbonaceous materials Lozano-Castelló, D.; Alcañiz-Monge, J.; de la Casa-Lillo, M. A. Fuel, Vol. 81, Issue 14 https://doi.org/10.1016/S0016-2361(02)00124-2	journal	September 2002
High-Pressure Adsorption Capacity and Structure of CO ₂ in Carbon Slit Pores: Theory and Simulation Bhatia, S. K.; Tran, K.; Nguyen, T. X. Langmuir, Vol. 20, Issue 22 https://doi.org/10.1021/la048571i	journal	October 2004
Effects of Activation on the Structure and Adsorption Properties of a Nanoporous Carbon Using Molecular Simulation Jain, Surendra K.; Pikunic, Jorge P.; Pellenq, Roland J. -M. Adsorption, Vol. 11, Issue S1 https://doi.org/10.1007/s10450-005-5950-3	journal	July 2005
Filling Characteristics for an Activated Carbon Based Adsorbed Natural Gas Storage System Sahoo, Pradeepta K.; John, Mathew; Newalkar, Bharat L. Industrial & Engineering Chemistry Research, Vol. 50, Issue 23 https://doi.org/10.1021/ie200241x	journal	December 2011
Corrections to “Filling Characteristics for an Activated Carbon Based Adsorbed Natural Gas Storage System” Sahoo, Pradeepta K.; John, Mathew; Newalkar, Bharat L. Industrial & Engineering Chemistry Research, Vol. 53, Issue 11 https://doi.org/10.1021/ie500619s	journal	March 2014
Influence of exhaust gas heating and L/D ratios on the discharge efficiencies for an activated carbon natural gas storage system Sahoo, P. K.; Prajwal, B. P.; Dasetty, Siva Kalyan Applied Energy, Vol. 119 https://doi.org/10.1016/j.apenergy.2013.12.057	journal	April 2014
Impact of ligands on CO2 adsorption in metal-organic frameworks: First principles study of the interaction of CO2 with functionalized benzenes. I. Inductive effects on the aromatic ring Torrisi, Antonio; Mellot-Draznieks, Caroline; Bell, Robert G. The Journal of Chemical Physics, Vol. 130, Issue 19 https://doi.org/10.1063/1.3120909	journal	May 2009
Methane and carbon dioxide adsorption on edge-functionalized graphene: A comparative DFT study Wood, Brandon C.; Bhide, Shreyas Y.; Dutta, Debosruti The Journal of Chemical Physics, Vol. 137, Issue 5 https://doi.org/10.1063/1.4736568	journal	August 2012
Adsorption on Edge-Functionalized Bilayer Graphene Nanoribbons: Assessing the Role of Functional Groups in Methane Uptake Kandagal, Vinay S.; Pathak, Amardeep; Ayappa, K. G. The Journal of Physical Chemistry C, Vol. 116, Issue 44 https://doi.org/10.1021/jp307039m	journal	October 2012
Molecular Simulation Studies of CO ₂ Adsorption by Carbon Model Compounds for Carbon Capture and Sequestration Applications Liu, Yangyang; Wilcox, Jennifer Environmental Science & Technology, Vol. 47, Issue 1 https://doi.org/10.1021/es3012029	journal	July 2012
Large-scale screening of hypothetical metal–organic frameworks Wilmer, Christopher E.; Leaf, Michael; Lee, Chang Yeon Nature Chemistry, Vol. 4, Issue 2, p. 83-89 https://doi.org/10.1038/nchem.1192	journal	November 2011
Effects of Surface Heterogeneity on the Adsorption of CO ₂ in Microporous Carbons Liu, Yangyang; Wilcox, Jennifer Environmental Science & Technology, Vol. 46, Issue 3 https://doi.org/10.1021/es204071g	journal	January 2012
Synergetic effect of carbon nanopore size and surface oxidation on CO2 capture from CO2/CH4 mixtures Furmaniak, Sylwester; Kowalczyk, Piotr; Terzyk, Artur P. Journal of Colloid and Interface Science, Vol. 397 https://doi.org/10.1016/j.jcis.2013.01.044	journal	May 2013
Large-Scale Production of Edge-Selectively Functionalized Graphene Nanoplatelets via Ball Milling and Their Use as Metal-Free Electrocatalysts for Oxygen Reduction Reaction Jeon, In-Yup; Choi, Hyun-Jung; Jung, Sun-Min Journal of the American Chemical Society, Vol. 135, Issue 4 https://doi.org/10.1021/ja3091643	journal	November 2012
Molecular simulation of CO2 adsorption in micro- and mesoporous carbons with surface heterogeneity Liu, Yangyang; Wilcox, Jennifer International Journal of Coal Geology, Vol. 104 https://doi.org/10.1016/j.coal.2012.04.007	journal	December 2012
Design of New Materials for Methane Storage Düren, Tina; Sarkisov, Lev; Yaghi, Omar M. Langmuir, Vol. 20, Issue 7, p. 2683-2689 https://doi.org/10.1021/la0355500	journal	March 2004
Toward New Candidates for Hydrogen Storage: High-Surface-Area Carbon Aerogels Kabbour, Houria; Baumann, Theodore F.; Satcher,, Joe H. Chemistry of Materials, Vol. 18, Issue 26, p. 6085-6087 https://doi.org/10.1021/cm062329a	journal	December 2006
Advanced carbon aerogels for energy applications Biener, Juergen; Stadermann, Michael; Suss, Matthew Energy & Environmental Science, Vol. 4, Issue 3, p. 656-667 https://doi.org/10.1039/c0ee00627k	journal	January 2011
Macroscopic 3D Nanographene with Dynamically Tunable Bulk Properties Biener, Juergen; Dasgupta, Subho; Shao, Lihua Advanced Materials, Vol. 24, Issue 37, p. 5083-5087 https://doi.org/10.1002/adma.201202289	journal	July 2012
Imaging the atomic structure of activated carbon Harris, Peter J. F.; Liu, Zheng; Suenaga, Kazu Journal of Physics: Condensed Matter, Vol. 20, Issue 36 https://doi.org/10.1088/0953-8984/20/36/362201	journal	August 2008
Structural Defects in Graphene Banhart, Florian; Kotakoski, Jani; Krasheninnikov, Arkady V. ACS Nano, Vol. 5, Issue 1 https://doi.org/10.1021/nn102598m	journal	November 2010
Graphene as an electronic membrane Kim, Eun-Ah; Castro Neto, A. H. EPL (Europhysics Letters), Vol. 84, Issue 5 https://doi.org/10.1209/0295-5075/84/57007	journal	December 2008
First-Principles-Inspired Design Strategies for Graphene-Based Supercapacitor Electrodes Wood, Brandon C.; Ogitsu, Tadashi; Otani, Minoru The Journal of Physical Chemistry C, Vol. 118, Issue 1 https://doi.org/10.1021/jp4044013	journal	December 2013
Improving gas sensing properties of graphene by introducing dopants and defects: a first-principles study Zhang, Yong-Hui; Chen, Ya-Bin; Zhou, Kai-Ge Nanotechnology, Vol. 20, Issue 18 https://doi.org/10.1088/0957-4484/20/18/185504	journal	April 2009
Enhanced response to molecular adsorption of structurally defective graphene Kim, Kanghyun; Kang, Haeyong; Lee, Cho Yeon Journal of Vacuum Science & Technology B, Nanotechnology and Microelectronics: Materials, Processing, Measurement, and Phenomena, Vol. 31, Issue 3 https://doi.org/10.1116/1.4798649	journal	May 2013
The electronic properties of graphene Castro Neto, A. H.; Guinea, F.; Peres, N. M. R. Reviews of Modern Physics, Vol. 81, Issue 1, p. 109-162 https://doi.org/10.1103/RevModPhys.81.109	journal	January 2009
Free Folding of Suspended Graphene Sheets by Random Mechanical Stimulation Zhang, Jiong; Xiao, Jianliang; Meng, Xianhong Physical Review Letters, Vol. 104, Issue 16 https://doi.org/10.1103/PhysRevLett.104.166805	journal	April 2010
Open and Closed Edges of Graphene Layers Liu, Zheng; Suenaga, Kazu; Harris, Peter J. F. Physical Review Letters, Vol. 102, Issue 1 https://doi.org/10.1103/PhysRevLett.102.015501	journal	January 2009
Multiply folded graphene Kim, Kwanpyo; Lee, Zonghoon; Malone, Brad D. Physical Review B, Vol. 83, Issue 24, Article No. 245433 https://doi.org/10.1103/PhysRevB.83.245433	journal	June 2011
Synthesis of Edge-Closed Graphene Ribbons with Enhanced Conductivity Yu, Woo Jong; Chae, Sang Hoon; Perello, David ACS Nano, Vol. 4, Issue 9 https://doi.org/10.1021/nn101581k	journal	August 2010
QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials Giannozzi, Paolo; Baroni, Stefano; Bonini, Nicola Journal of Physics: Condensed Matter, Vol. 21, Issue 39, Article No. 395502 https://doi.org/10.1088/0953-8984/21/39/395502	journal	September 2009
Van der Waals Density Functional for General Geometries Dion, M.; Rydberg, H.; Schröder, E. Physical Review Letters, Vol. 92, Issue 24 https://doi.org/10.1103/PhysRevLett.92.246401	journal	June 2004
Direct evidence for atomic defects in graphene layers Hashimoto, Ayako; Suenaga, Kazu; Gloter, Alexandre Nature, Vol. 430, Issue 7002 https://doi.org/10.1038/nature02817	journal	August 2004
Free-standing graphene at atomic resolution Gass, Mhairi H.; Bangert, Ursel; Bleloch, Andrew L. Nature Nanotechnology, Vol. 3, Issue 11 https://doi.org/10.1038/nnano.2008.280	journal	September 2008
Direct Imaging of Lattice Atoms and Topological Defects in Graphene Membranes Meyer, Jannik C.; Kisielowski, C.; Erni, R. Nano Letters, Vol. 8, Issue 11 https://doi.org/10.1021/nl801386m	journal	November 2008
Structural transformations in graphene studied with high spatial and temporal resolution Warner, Jamie H.; Rümmeli, Mark H.; Ge, Ling Nature Nanotechnology, Vol. 4, Issue 8 https://doi.org/10.1038/nnano.2009.194	journal	August 2009
Graphene at the Edge: Stability and Dynamics Girit, C. O.; Meyer, J. C.; Erni, R. Science, Vol. 323, Issue 5922 https://doi.org/10.1126/science.1166999	journal	March 2009
Tuning the electronic structure of graphene by ion irradiation Tapasztó, L.; Dobrik, G.; Nemes-Incze, P. Physical Review B, Vol. 78, Issue 23 https://doi.org/10.1103/PhysRevB.78.233407	journal	December 2008
Trapping of Metal Atoms in Vacancies of Carbon Nanotubes and Graphene Rodríguez-Manzo, Julio A.; Cretu, Ovidiu; Banhart, Florian ACS Nano, Vol. 4, Issue 6 https://doi.org/10.1021/nn100356q	journal	May 2010
An extended defect in graphene as a metallic wire Lahiri, Jayeeta; Lin, You; Bozkurt, Pinar Nature Nanotechnology, Vol. 5, Issue 5 https://doi.org/10.1038/nnano.2010.53	journal	March 2010
Irradiation-Induced Magnetism in Graphite: A Density Functional Study Lehtinen, P. O.; Foster, A. S.; Ma, Yuchen Physical Review Letters, Vol. 93, Issue 18 https://doi.org/10.1103/PhysRevLett.93.187202	journal	October 2004
Engineering of nanostructured carbon materials with electron or ion beams Krasheninnikov, A. V.; Banhart, F. Nature Materials, Vol. 6, Issue 10 https://doi.org/10.1038/nmat1996	journal	October 2007
Structural evolution during the reduction of chemically derived graphene oxide Bagri, Akbar; Mattevi, Cecilia; Acik, Muge Nature Chemistry, Vol. 2, Issue 7, p. 581-587 https://doi.org/10.1038/nchem.686	journal	June 2010
Molecular adsorption in graphene with divacancy defects Sanyal, Biplab; Eriksson, Olle; Jansson, Ulf Physical Review B, Vol. 79, Issue 11 https://doi.org/10.1103/PhysRevB.79.113409	journal	March 2009
CO ₂ Adsorption on Carbon Models of Organic Constituents of Gas Shale and Coal Liu, Yangyang; Wilcox, Jennifer Environmental Science & Technology, Vol. 45, Issue 2 https://doi.org/10.1021/es102700c	journal	January 2011
Adsorption and Reactivity of CO ₂ on Defective Graphene Sheets Cabrera-Sanfelix, Pepa The Journal of Physical Chemistry A, Vol. 113, Issue 2 https://doi.org/10.1021/jp807087y	journal	January 2009
A DFT study of methane activation on graphite surfaces with vacancy defects Liu, Fengsi; Chu, Wei; Sun, Wenjing Journal of Natural Gas Chemistry, Vol. 21, Issue 6 https://doi.org/10.1016/S1003-9953(11)60423-4	journal	November 2012
Imaging and dynamics of light atoms and molecules on graphene Meyer, Jannik C.; Girit, C. O.; Crommie, M. F. Nature, Vol. 454, Issue 7202 https://doi.org/10.1038/nature07094	journal	July 2008
Structure and energetics of the vacancy in graphite El-Barbary, A. A.; Telling, R. H.; Ewels, C. P. Physical Review B, Vol. 68, Issue 14 https://doi.org/10.1103/PhysRevB.68.144107	journal	October 2003
Dissociative adsorption of small molecules at vacancies on the graphite (0001) surface Allouche, A.; Ferro, Y. Carbon, Vol. 44, Issue 15 https://doi.org/10.1016/j.carbon.2006.06.014	journal	December 2006
Simulations of Binary Mixture Adsorption of Carbon Dioxide and Methane in Carbon Nanotubes: Temperature, Pressure, and Pore Size Effects Huang, Liangliang; Zhang, Luzheng; Shao, Qing The Journal of Physical Chemistry C, Vol. 111, Issue 32 https://doi.org/10.1021/jp067226u	journal	July 2007
Systematic development of predictive molecular models of high surface area activated carbons for adsorption applications Di Biase, Emanuela; Sarkisov, Lev Carbon, Vol. 64 https://doi.org/10.1016/j.carbon.2013.07.061	journal	November 2013
Defect energies of graphite: Density-functional calculations Li, L.; Reich, S.; Robertson, J. Physical Review B, Vol. 72, Issue 18 https://doi.org/10.1103/PhysRevB.72.184109	journal	November 2005
Stone-Wales defects in graphene and other planar $s p^{2}$ -bonded materials Ma, Jie; Alfè, Dario; Michaelides, Angelos Physical Review B, Vol. 80, Issue 3 https://doi.org/10.1103/PhysRevB.80.033407	journal	July 2009
Room-temperature ferromagnetism in graphite driven by two-dimensional networks of point defects Červenka, J.; Katsnelson, M. I.; Flipse, C. F. J. Nature Physics, Vol. 5, Issue 11 https://doi.org/10.1038/nphys1399	journal	October 2009
Structural and electronic properties of grain boundaries in graphite: Planes of periodically distributed point defects Červenka, J.; Flipse, C. F. J. Physical Review B, Vol. 79, Issue 19 https://doi.org/10.1103/PhysRevB.79.195429	journal	May 2009
Migration and Localization of Metal Atoms on Strained Graphene Cretu, Ovidiu; Krasheninnikov, Arkady V.; Rodríguez-Manzo, Julio A. Physical Review Letters, Vol. 105, Issue 19 https://doi.org/10.1103/PhysRevLett.105.196102	journal	November 2010
Strain effects on basal-plane hydrogenation of graphene: A first-principles study Xue, Kun; Xu, Zhiping Applied Physics Letters, Vol. 96, Issue 6 https://doi.org/10.1063/1.3298552	journal	February 2010
On the imaging mechanism of monatomic steps in graphite Atamny, F.; Fässler, T. F.; Baiker, A. Applied Physics A: Materials Science & Processing, Vol. 71, Issue 4 https://doi.org/10.1007/s003390000570	journal	October 2000
Atomic resolution of defects in graphite studied by STM Atamny, F.; Baiker, A.; Schlögl, R. Fresenius' Journal of Analytical Chemistry, Vol. 358, Issue 1-2 https://doi.org/10.1007/s002160050425	journal	May 1997
Geometry Controls Conformation of Graphene Sheets: Membranes, Ribbons, and Scrolls Xu, Zhiping; Buehler, Markus J. ACS Nano, Vol. 4, Issue 7 https://doi.org/10.1021/nn100575k	journal	June 2010
Adsorption of Cu, Ag, and Au atoms on graphene including van der Waals interactions Amft, Martin; Lebègue, Sébastien; Eriksson, Olle Journal of Physics: Condensed Matter, Vol. 23, Issue 39 https://doi.org/10.1088/0953-8984/23/39/395001	journal	September 2011
Engineering graphene by oxidation: a first-principles study Xu, Zhiping; Xue, Kun Nanotechnology, Vol. 21, Issue 4 https://doi.org/10.1088/0957-4484/21/4/045704	journal	December 2009
Asymmetrical Electronic Structure of Folded Graphene Takagi, Yoshiteru; Okada, Susumu Journal of the Physical Society of Japan, Vol. 79, Issue 3 https://doi.org/10.1143/JPSJ.79.033702	journal	March 2010
Physical origins of weak H ₂ binding on carbon nanostructures: Insight from ab initio studies of chemically functionalized graphene nanoribbons Ulman, Kanchan; Bhaumik, Debarati; Wood, Brandon C. The Journal of Chemical Physics, Vol. 140, Issue 17 https://doi.org/10.1063/1.4873435	journal	May 2014
DFT Studies on the Interaction of Defective Graphene-Supported Fe and Al Nanoparticles Lim, Dong-Hee; Negreira, Ana Suarez; Wilcox, Jennifer The Journal of Physical Chemistry C, Vol. 115, Issue 18 https://doi.org/10.1021/jp2012914	journal	April 2011

Cited By (7)

Integration of polymerized ionic liquid with graphene for enhanced CO ₂ adsorption Tamilarasan, P.; Ramaprabhu, S. Journal of Materials Chemistry A, Vol. 3, Issue 1 https://doi.org/10.1039/c4ta04808c	journal	January 2015
Adsorption of sodium diclofenac on graphene: a combined experimental and theoretical study Jauris, I. M.; Matos, C. F.; Saucier, C. Physical Chemistry Chemical Physics, Vol. 18, Issue 3 https://doi.org/10.1039/c5cp05940b	journal	January 2016
Environmental applications of graphene-based nanomaterials Perreault, François; Fonseca de Faria, Andreia; Elimelech, Menachem Chemical Society Reviews, Vol. 44, Issue 16 https://doi.org/10.1039/c5cs00021a	journal	January 2015
Amine-rich ionic liquid grafted graphene for sub-ambient carbon dioxide adsorption Tamilarasan, P.; Ramaprabhu, S. RSC Advances, Vol. 6, Issue 4 https://doi.org/10.1039/c5ra22029g	journal	January 2016
An assessment of strategies for the development of solid-state adsorbents for vehicular hydrogen storage Allendorf, Mark D.; Hulvey, Zeric; Gennett, Thomas Energy & Environmental Science, Vol. 11, Issue 10 https://doi.org/10.1039/c8ee01085d	journal	January 2018
Water self-diffusivity confined in graphene nanogap using molecular dynamics simulations Moulod, M.; Hwang, G. Journal of Applied Physics, Vol. 120, Issue 19 https://doi.org/10.1063/1.4967797	journal	November 2016
Universal roles of hydrogen in electrochemical performance of graphene: high rate capacity and atomistic origins Ye, Jianchao; Ong, Mitchell T.; Heo, Tae Wook Scientific Reports, Vol. 5, Issue 1 https://doi.org/10.1038/srep16190	journal	November 2015

Similar Records

First-Principles Analysis of Defect-Mediated Li Adsorption on Graphene

Journal Article · Wed Dec 10 00:00:00 EST 2014 · ACS Applied Materials and Interfaces · OSTI ID:1325864

Yildirim, Handan; Kinaci, Alper; Zhao, Zhi-Jian; +2 more

First-Principles Analysis of Defect-Mediated Li Adsorption on Graphene

Journal Article · Mon Nov 24 00:00:00 EST 2014 · ACS Applied Materials and Interfaces · OSTI ID:1325864

Yildirim, Handan; Kinaci, Alper; Zhao, Zhi-Jian; +2 more

First-Principles Analysis of Defect-Mediated Li Adsorption on Graphene

Journal Article · Mon Nov 24 00:00:00 EST 2014 · ACS Applied Materials and Interfaces · OSTI ID:1325864

Yildirim, Handan; Kinaci, Alper; Zhao, Zhi-Jian; +2 more

Related Subjects

36 MATERIALS SCIENCE
77 NANOSCIENCE AND NANOTECHNOLOGY
03 NATURAL GAS
37 INORGANIC
ORGANIC
PHYSICAL AND ANALYTICAL CHEMISTRY
75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
25 ENERGY STORAGE

Title: Enhanced gas adsorption on graphitic substrates via defects and local curvature: A density functional theory study

Citation Formats

References (72)

Cited By (7)

Similar Records

Related Subjects