Hydrogen motions in defective graphene: the role of surface defects

Literature Information

Publication Date 2016-08-22
DOI 10.1039/C6CP04727K
Impact Factor 3.676
Authors

Daniele Pontiroli, Mónica Jiménez-Ruiz, Mark Johnson, Matteo Aramini, Mattia Gaboardi, Stewart F. Parker, Mauro Riccó, Stéphane Rols


View Original

Abstract

Understanding the mobility of H at the surface of carbon nanostructures is one of the essential ingredients for a deep comprehension of the catalytic formation of H2 in interstellar clouds. In this paper, we combine neutron vibrational spectroscopy with DFT molecular dynamics simulations to study the local environment of H structures chemisorbed at the surface of disordered graphene sheets. At 5 K, the ground state is composed of large clusters of hydrogen chemisorbed at sp2 carbon sites, on the edges and in voids of the graphene sheets. At temperatures of ∼300 K, a high degree of dispersion of the clusters is observed, involving the breaking and reforming of covalent bonds which, at low temperatures, is mediated by incoherent tunnelling of hydrogen.

Related Literature

Intramolecular base-accelerated radical-scavenging reaction of a planar catechin derivative bearing a lysine moiety

Kiyoshi Fukuhara, Kei Ohkubo, Yoshinori Obara, Ayako Tada, Kohei Imai, Akiko Ohno, Asao Nakamura, Shiro Urano, Shinichi Saito, Shunichi Fukuzumi, Kazunori Anzai, Haruhiro Okuda

2009-09-14 Communication

DOI: 10.1039/B913714A

Hierarchical γ-Al2O3 monoliths with highly ordered 2D hexagonal mesopores in macroporous walls

Le-Le Li, Wen-Tao Duan, Quan Yuan, Zhen-Xing Li, Hao-Hong Duan, Chun-Hua Yan

2009-09-10 Communication

DOI: 10.1039/B912495K

Renewable resource-based poly(dodecyloate) by carbonylation polymerization

Dorothee Quinzler, Stefan Mecking

2009-08-14 Communication

DOI: 10.1039/B912294J

Aerosol-spraying synthesis of SiO2/TiO2 nanocomposites and conversion to porous TiO2 and single-crystalline TiOF2

Jian Zhu, Dieqing Zhang, Zhenfeng Bian, Guisheng Li, Yuning Huo, Yunfeng Lu, Hexing Li

2009-07-31 Communication

DOI: 10.1039/B909692B

Energetic polyazole polynitrobenzenes and their coordination complexes

Zhuo Zeng, Yong Guo, Brendan Twamley, Jean’ne M. Shreeve

2009-09-09 Communication

DOI: 10.1039/B915090K

Vertically oriented arrays of polyaniline nanorods and their super electrochemical properties

Biplab K. Kuila, Bhanu Nandan, Marcus Böhme, Andreas Janke, Manfred Stamm

2009-08-07 Communication

DOI: 10.1039/B912513B

Electrical control of cell density gradients on a conducting polymer surface

Alwin M. D. Wan, Daniel J. Brooks, Abdurrahman Gumus, Claudia Fischbach, George G. Malliaras

2009-07-21 Communication

DOI: 10.1039/B911130A

Ionic nano-convection in anodisation of aluminium plate

Shijing Lu, Zixue Su, Jian Sha, Wuzong Zhou

2009-08-06 Communication

DOI: 10.1039/B909256K

Charge photogeneration in polythiophene–perylene diimide blend films

Safa Shoaee, Zesheng An, Xuan Zhang, Stephen Barlow, Seth R. Marder, Warren Duffy, James R. Durrant

2009-07-29 Communication

DOI: 10.1039/B909071A

Highly selective detection of Cu2+ utilizing specific binding between Cu-demetallated superoxide dismutase 1 and the Cu2+ ion viasurface plasmon resonance spectroscopy

Suseung Lee, Inhee Choi, Surin Hong, Young In Yang, Jeongjin Lee, Taewook Kang, Jongheop Yi

2009-09-11 Communication

DOI: 10.1039/B910666A

You might also like

Compound Q&A

What precautions should be taken when handling lithium chloride hydrate (1:1:1) (CAS: 16712-20-2)?

When handling lithium chloride hydrate (1:1:1) (CAS: 16712-20-2), it is importan...

16712-20-2Lithium chloride hyd...
Compound Q&A

Is 4-(4H-1,2,4-Triazol-4-yl)piperidine (CAS: 690261-92-8) safe?

4-(4H-1,2,4-Triazol-4-yl)piperidine is generally considered safe for use in phar...

690261-92-84-(4H-1,2,4-Triazol-...
Compound Q&A

How should waste containing 1,3-Thiazole-2-carboxamide (CAS: 16733-85-0) be handled?

Waste containing 1,3-Thiazole-2-carboxamide (CAS: 16733-85-0) should be collecte...

16733-85-01,3-Thiazole-2-carbo...
Compound Q&A

What regulatory guidelines apply to 5-(Difluoromethyl)-2-fluorobenzonitrile (CAS: 934175-58-3)?

5-(Difluoromethyl)-2-fluorobenzonitrile (CAS: 934175-58-3) is subject to regulat...

934175-58-35-(Difluoromethyl)-2...
Compound Q&A

How is Methyl 3-acetamido-2-thiophenecarboxylate (CAS: 22288-79-5) typically synthesized?

Methyl 3-acetamido-2-thiophenecarboxylate can be synthesized by the reaction of ...

22288-79-5Methyl 3-acetamido-2...
Compound Q&A

What is 4-Isoquinolinecarbonitrile (CAS: 34846-65-6)?

4-Isoquinolinecarbonitrile is a chemical compound with the CAS number 34846-65-6...

34846-65-64-Isoquinolinecarbon...
Compound Q&A

How should Methyl 1H-1,2,3-triazole-4-carboxylate (CAS: 877309-59-6) be stored?

Store Methyl 1H-1,2,3-triazole-4-carboxylate (CAS: 877309-59-6) in a cool, dry p...

877309-59-6Methyl 1H-1,2,3-tria...
Compound Q&A

What regulatory guidelines apply to 6-Bromo[1,3]thiazolo[5,4-b]pyridin-2-amine (CAS: 1160791-13-8)?

6-Bromo[1,3]thiazolo[5,4-b]pyridin-2-amine (CAS: 1160791-13-8) is subject to the...

1160791-13-86-Bromo[1,3]thiazolo...
Compound Q&A

Is (2S,3S)-2-Ammonio-3-(3,4-dihydroxyphenyl)-3-hydroxypropanoate (CAS: 23651-95-8) safe?

(2S,3S)-2-Ammonio-3-(3,4-dihydroxyphenyl)-3-hydroxypropanoate (CAS: 23651-95-8) ...

23651-95-8(2S,3S)-2-Ammonio-3-...
Compound Q&A

What are the physical and chemical properties of 7-bromo-3-methyl-3,4-dihydroquinazolin-4-one (CAS: 1293987-84-4)?

7-Bromo-3-methyl-3,4-dihydroquinazolin-4-one is a solid with a crystalline form....

1293987-84-47-bromo-3-methyl-3,4...

Source Journal

Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
CiteScore: 5.5
Self-citation Rate: 10.3%
Articles per Year: 3036

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.

Recommended Suppliers

Disclaimer
This page provides academic journal information for reference and research purposes only. We are not affiliated with any journal publishers and do not handle publication submissions. For publication-related inquiries, please contact the respective journal publishers directly.
If you notice any inaccuracies in the information displayed, please contact us at support@chemtradehub.com. We will promptly review and address your concerns.