Water on silicene: A hydrogen bond-autocatalyzed physisorption–chemisorption–dissociation transition

Hu, Wei; Li, Zhenyu; Yang, Jinlong

doi:10.1007/s12274-016-1411-4

Water on silicene: A hydrogen bond-autocatalyzed physisorption–chemisorption–dissociation transition

Journal Article · Mon Mar 27 00:00:00 EDT 2017 · Nano Research

DOI:https://doi.org/10.1007/s12274-016-1411-4· OSTI ID:1461963

Hu, Wei ^[1]; Li, Zhenyu ^[2]; Yang, Jinlong ^[2]

University of Science and Technology of China, Hefei (China). Hefei National Laboratory for Physical Sciences at Microscale, Department of Chemical Physics, and Synergetic Innovation Center of Quantum Information and Quantum Physics; Lawrence Berkeley National Laboratory, Berkeley, CA (United States). Computational Research Division
University of Science and Technology of China, Hefei (China). Hefei National Laboratory for Physical Sciences at Microscale, Department of Chemical Physics, and Synergetic Innovation Center of Quantum Information and Quantum Physics

A single water molecule is nothing special. However, macroscopic water displays many anomalous properties at interfaces, such as hydrophobicity and hydrophilicity. Although the underlying mechanisms remain elusive, hydrogen bonds between water molecules are expected to play a major role in these interesting phenomena. An important question concerns whether water clusters containing few molecules are qualitatively different from a single molecule. Using the water adsorption behavior as an example and by carefully choosing two-dimensional silicene as the substrate material, we demonstrate that water monomers, dimers, and trimers show distinct adsorption properties at the substrate surface. On silicene, the additional water molecules in dimers and trimers induce a transition from physisorption to chemisorption and then to dissociation, arising from the enhancement of charge transfer and proton transfer processes induced by hydrogen bonding. Such a hydrogen bond autocatalytic effect is expected to have broad applications in metal-free catalysis for the oxygen reduction reaction and water dissociation.

Research Organization:: Lawrence Berkeley National Laboratory, Berkeley, CA (United States). National Energy Research Scientific Computing Center (NERSC).

Sponsoring Organization:: USDOE Office of Science (SC), Advanced Scientific Computing Research (ASCR) (SC-21); USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

OSTI ID:: 1461963

Journal Information:: Nano Research, Journal Name: Nano Research Journal Issue: 7 Vol. 10; ISSN 1998-0124

Country of Publication:: United States

Language:: English

References (91)

Much stronger binding of metal adatoms to silicene than to graphene: A first-principles study Lin, Xianqing; Ni, Jun Physical Review B, Vol. 86, Issue 7 https://doi.org/10.1103/PhysRevB.86.075440	journal	August 2012
Helium separation via porous silicene based ultimate membrane Hu, Wei; Wu, Xiaojun; Li, Zhenyu Nanoscale, Vol. 5, Issue 19 https://doi.org/10.1039/c3nr02326e	journal	January 2013
Gas adsorption on silicene: A theoretical study Feng, Jing-wen; Liu, Yue-jie; Wang, Hong-xia Computational Materials Science, Vol. 87 https://doi.org/10.1016/j.commatsci.2014.02.025	journal	May 2014
Erratum: “Hybrid functionals based on a screened Coulomb potential” [J. Chem. Phys. 118, 8207 (2003)] Heyd, Jochen; Scuseria, Gustavo E.; Ernzerhof, Matthias The Journal of Chemical Physics, Vol. 124, Issue 21 https://doi.org/10.1063/1.2204597	journal	June 2006
The interaction of water with solid surfaces: fundamental aspects revisited Henderson, M. Surface Science Reports, Vol. 46, Issue 1-8 https://doi.org/10.1016/S0167-5729(01)00020-6	journal	May 2002
General Model for Water Monomer Adsorption on Close-Packed Transition and Noble Metal Surfaces Michaelides, A.; Ranea, V. A.; de Andres, P. L. Physical Review Letters, Vol. 90, Issue 21 https://doi.org/10.1103/PhysRevLett.90.216102	journal	May 2003
Evidence of Silicene in Honeycomb Structures of Silicon on Ag(111) Feng, Baojie; Ding, Zijing; Meng, Sheng Nano Letters, Vol. 12, Issue 7, p. 3507-3511 https://doi.org/10.1021/nl301047g	journal	June 2012
Electronic structure of silicon-based nanostructures Guzmán-Verri, Gian G.; Lew Yan Voon, L. C. Physical Review B, Vol. 76, Issue 7 https://doi.org/10.1103/PhysRevB.76.075131	journal	August 2007
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
Core Concept: Silicene Ornes, S. Proceedings of the National Academy of Sciences, Vol. 111, Issue 30 https://doi.org/10.1073/pnas.1410332111	journal	July 2014
Oxygen Defects in Phosphorene Ziletti, A.; Carvalho, A.; Campbell, D. K. Physical Review Letters, Vol. 114, Issue 4 https://doi.org/10.1103/PhysRevLett.114.046801	journal	January 2015
The interaction of water with solid surfaces: Fundamental aspects Thiel, Patricia A.; Madey, Theodore E. Surface Science Reports, Vol. 7, Issue 6-8, p. 211-385 https://doi.org/10.1016/0167-5729(87)90001-X	journal	October 1987
Interlayer cohesive energy of graphite from thermal desorption of polyaromatic hydrocarbons Zacharia, Renju; Ulbricht, Hendrik; Hertel, Tobias Physical Review B, Vol. 69, Issue 15 https://doi.org/10.1103/PhysRevB.69.155406	journal	April 2004
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
A unified formulation of the constant temperature molecular dynamics methods Nosé, Shuichi The Journal of Chemical Physics, Vol. 81, Issue 1 https://doi.org/10.1063/1.447334	journal	July 1984
Visualizing Local Doping Effects of Individual Water Clusters on Gold(111)-Supported Graphene Cao, Peigen; Varghese, Joseph O.; Xu, Ke Nano Letters, Vol. 12, Issue 3 https://doi.org/10.1021/nl2041673	journal	February 2012
Two- and One-Dimensional Honeycomb Structures of Silicon and Germanium Cahangirov, S.; Topsakal, M.; Aktürk, E. Physical Review Letters, Vol. 102, Issue 23 https://doi.org/10.1103/PhysRevLett.102.236804	journal	June 2009
Role of hydrogen bonding in the catalytic reduction of nitric oxide Shiotari, Akitoshi; Hatta, Shinichiro; Okuyama, Hiroshi Chem. Sci., Vol. 5, Issue 3 https://doi.org/10.1039/C3SC52334A	journal	January 2014
Two-Dimensional Dielectric Nanosheets: Novel Nanoelectronics From Nanocrystal Building Blocks Osada, Minoru; Sasaki, Takayoshi Advanced Materials, Vol. 24, Issue 2, p. 210-228 https://doi.org/10.1002/adma.201103241	journal	October 2011
Quantum Spin Hall Effect in Silicene and Two-Dimensional Germanium Liu, Cheng-Cheng; Feng, Wanxiang; Yao, Yugui Physical Review Letters, Vol. 107, Issue 7 https://doi.org/10.1103/PhysRevLett.107.076802	journal	August 2011
Epitaxial growth of a silicene sheet Lalmi, Boubekeur; Oughaddou, Hamid; Enriquez, Hanna Applied Physics Letters, Vol. 97, Issue 22 https://doi.org/10.1063/1.3524215	journal	November 2010
Spontaneous Symmetry Breaking and Dynamic Phase Transition in Monolayer Silicene Chen, Lan; Li, Hui; Feng, Baojie Physical Review Letters, Vol. 110, Issue 8 https://doi.org/10.1103/PhysRevLett.110.085504	journal	February 2013
Water on graphene: Hydrophobicity and dipole moment using density functional theory Leenaerts, O.; Partoens, B.; Peeters, F. M. Physical Review B, Vol. 79, Issue 23 https://doi.org/10.1103/PhysRevB.79.235440	journal	June 2009
Au-Decorated Silicene: Design of a High-Activity Catalyst toward CO Oxidation Li, Chong; Yang, Shengxue; Li, Shu-Shen The Journal of Physical Chemistry C, Vol. 117, Issue 1 https://doi.org/10.1021/jp310746m	journal	December 2012
Single-layer MoS₂ transistors Radisavljevic, B.; Radenovic, A.; Brivio, J. Nature Nanotechnology, Vol. 6, Issue 3, p. 147-150 https://doi.org/10.1038/nnano.2010.279	journal	January 2011
Synthesis of Few-Layer Hexagonal Boron Nitride Thin Film by Chemical Vapor Deposition Shi, Yumeng; Hamsen, Christoph; Jia, Xiaoting Nano Letters, Vol. 10, Issue 10 https://doi.org/10.1021/nl1023707	journal	October 2010
Phosphorene: An Unexplored 2D Semiconductor with a High Hole Mobility Liu, Han; Neal, Adam T.; Zhu, Zhen ACS Nano, Vol. 8, Issue 4 https://doi.org/10.1021/nn501226z	journal	March 2014
Structure and Bonding of Water on Pt(111) Ogasawara, H.; Brena, B.; Nordlund, D. Physical Review Letters, Vol. 89, Issue 27 https://doi.org/10.1103/PhysRevLett.89.276102	journal	December 2002
Large Scale Growth and Characterization of Atomic Hexagonal Boron Nitride Layers Song, Li; Ci, Lijie; Lu, Hao Nano Letters, Vol. 10, Issue 8, p. 3209-3215 https://doi.org/10.1021/nl1022139	journal	August 2010
Nitrogen-Doped Graphene as Efficient Metal-Free Electrocatalyst for Oxygen Reduction in Fuel Cells Qu, Liangti; Liu, Yong; Baek, Jong-Beom ACS Nano, Vol. 4, Issue 3, p. 1321-1326 https://doi.org/10.1021/nn901850u	journal	February 2010
Silicene as a highly sensitive molecule sensor for NH3, NO and NO2 Hu, Wei; Xia, Nan; Wu, Xiaojun Physical Chemistry Chemical Physics, Vol. 16, Issue 15 https://doi.org/10.1039/c3cp55250k	journal	January 2014
High Efficiency Graphene Solar Cells by Chemical Doping Miao, Xiaochang; Tongay, Sefaattin; Petterson, Maureen K. Nano Letters, Vol. 12, Issue 6 https://doi.org/10.1021/nl204414u	journal	May 2012
Ab initio studies of hydrogen adatoms on bilayer graphene Mapasha, R. E.; Ukpong, A. M.; Chetty, N. Physical Review B, Vol. 85, Issue 20 https://doi.org/10.1103/PhysRevB.85.205402	journal	May 2012
Catalytic Water Formation on Platinum: A First-Principles Study Michaelides, A.; Hu, P. Journal of the American Chemical Society, Vol. 123, Issue 18 https://doi.org/10.1021/ja003576x	journal	May 2001
Structural, electronic, and optical properties of hybrid silicene and graphene nanocomposite Hu, Wei; Li, Zhenyu; Yang, Jinlong The Journal of Chemical Physics, Vol. 139, Issue 15 https://doi.org/10.1063/1.4824887	journal	October 2013
Induced ferromagnetism in one-side semihydrogenated silicene and germanene Wang, Xin-Quan; Li, Han-Dong; Wang, Jian-Tao Physical Chemistry Chemical Physics, Vol. 14, Issue 9 https://doi.org/10.1039/c2cp23385a	journal	January 2012
Electric Field Effect in Atomically Thin Carbon Films Novoselov, K. S. Science, Vol. 306, Issue 5696, p. 666-669 https://doi.org/10.1126/science.1102896	journal	October 2004
Molecular Structure of Water at Interfaces: Wetting at the Nanometer Scale Verdaguer, A.; Sacha, G. M.; Bluhm, H. Chemical Reviews, Vol. 106, Issue 4 https://doi.org/10.1021/cr040376l	journal	April 2006
Detection of individual gas molecules adsorbed on graphene Schedin, F.; Geim, A. K.; Morozov, S. V. Nature Materials, Vol. 6, Issue 9, p. 652-655 https://doi.org/10.1038/nmat1967	journal	July 2007
Effect of the Hydrogen Bond in Photoinduced Water Dissociation: A Double-Edged Sword Yang, Wenshao; Wei, Dong; Jin, Xianchi The Journal of Physical Chemistry Letters, Vol. 7, Issue 4 https://doi.org/10.1021/acs.jpclett.6b00015	journal	January 2016
Direct-bandgap properties and evidence for ultraviolet lasing of hexagonal boron nitride single crystal Watanabe, Kenji; Taniguchi, Takashi; Kanda, Hisao Nature Materials, Vol. 3, Issue 6 https://doi.org/10.1038/nmat1134	journal	May 2004
Black phosphorus field-effect transistors Li, Likai; Yu, Yijun; Ye, Guo Jun Nature Nanotechnology, Vol. 9, Issue 5 https://doi.org/10.1038/nnano.2014.35	journal	March 2014
Oxygen Vacancies as Active Sites for Water Dissociation on Rutile TiO 2 ( 110 ) Schaub, R.; Thostrup, P.; Lopez, N. Physical Review Letters, Vol. 87, Issue 26 https://doi.org/10.1103/PhysRevLett.87.266104	journal	December 2001
Observation of a possible superconducting gap in silicene on Ag(111) surface Chen, Lan; Feng, Baojie; Wu, Kehui Applied Physics Letters, Vol. 102, Issue 8 https://doi.org/10.1063/1.4793998	journal	February 2013
Silicene: Compelling Experimental Evidence for Graphenelike Two-Dimensional Silicon Vogt, Patrick; De Padova, Paola; Quaresima, Claudio Physical Review Letters, Vol. 108, Issue 15 https://doi.org/10.1103/PhysRevLett.108.155501	journal	April 2012
Adsorption of alkali, alkaline-earth, and 3 d transition metal atoms on silicene Sahin, H.; Peeters, F. M. Physical Review B, Vol. 87, Issue 8 https://doi.org/10.1103/PhysRevB.87.085423	journal	February 2013
Giant magnetoresistance in silicene nanoribbons Xu, Chengyong; Luo, Guangfu; Liu, Qihang Nanoscale, Vol. 4, Issue 10, p. 3111-3117 https://doi.org/10.1039/c2nr00037g	journal	January 2012
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
Resolving the Optical Spectrum of Water: Coordination and Electrostatic Effects Hermann, A.; Schmidt, W. G.; Schwerdtfeger, P. Physical Review Letters, Vol. 100, Issue 20 https://doi.org/10.1103/PhysRevLett.100.207403	journal	May 2008
Porous silicene as a hydrogen purification membrane Hu, Wei; Wu, Xiaojun; Li, Zhenyu Physical Chemistry Chemical Physics, Vol. 15, Issue 16 https://doi.org/10.1039/c3cp00066d	journal	January 2013
Chemical Functionalization of Silicene: Spontaneous Structural Transition and Exotic Electronic Properties Huang, Bing; Xiang, H. J.; Wei, Su-Huai Physical Review Letters, Vol. 111, Issue 14 https://doi.org/10.1103/PhysRevLett.111.145502	journal	October 2013
Buckled Germanene Formation on Pt(111) Li, Linfei; Lu, Shuang-zan; Pan, Jinbo Advanced Materials, Vol. 26, Issue 28 https://doi.org/10.1002/adma.201400909	journal	May 2014
The rise of graphene Geim, A. K.; Novoselov, K. S. Nature Materials, Vol. 6, Issue 3, p. 183-191 https://doi.org/10.1038/nmat1849	journal	March 2007
Atomically Thin MoS2 A New Direct-Gap Semiconductor Mak, Kin Fai; Lee, Changgu; Hone, James Physical Review Letters, Vol. 105, Issue 13, Article No.136805 https://doi.org/10.1103/PhysRevLett.105.136805	journal	September 2010
Single-Layer MoS₂ Phototransistors Yin, Zongyou; Li, Hai; Li, Hong ACS Nano, Vol. 6, Issue 1, p. 74-80 https://doi.org/10.1021/nn2024557	journal	December 2011
Buckled Silicene Formation on Ir(111) Meng, Lei; Wang, Yeliang; Zhang, Lizhi Nano Letters, Vol. 13, Issue 2, p. 685-690 https://doi.org/10.1021/nl304347w	journal	January 2013
A fast and robust algorithm for Bader decomposition of charge density Henkelman, Graeme; Arnaldsson, Andri; Jónsson, Hannes Computational Materials Science, Vol. 36, Issue 3 https://doi.org/10.1016/j.commatsci.2005.04.010	journal	June 2006
Adsorption of H 2 O , N H 3 , CO, N O 2 , and NO on graphene: A first-principles study Leenaerts, O.; Partoens, B.; Peeters, F. M. Physical Review B, Vol. 77, Issue 12 https://doi.org/10.1103/PhysRevB.77.125416	journal	March 2008
Influence of water on the electronic structure of metal-supported graphene: Insights from van der Waals density functional theory Li, Xiao; Feng, Ji; Wang, Enge Physical Review B, Vol. 85, Issue 8 https://doi.org/10.1103/PhysRevB.85.085425	journal	February 2012
Electronics and optoelectronics of two-dimensional transition metal dichalcogenides Wang, Qing Hua; Kalantar-Zadeh, Kourosh; Kis, Andras Nature Nanotechnology, Vol. 7, Issue 11, p. 699-712 https://doi.org/10.1038/nnano.2012.193	journal	November 2012
No Confinement Needed: Observation of a Metastable Hydrophobic Wetting Two-Layer Ice on Graphene Kimmel, Greg A.; Matthiesen, Jesper; Baer, Marcel Journal of the American Chemical Society, Vol. 131, Issue 35 https://doi.org/10.1021/ja904708f	journal	September 2009
Tunable Bandgap in Graphene by the Controlled Adsorption of Water Molecules Yavari, Fazel; Kritzinger, Christo; Gaire, Churamani Small, Vol. 6, Issue 22 https://doi.org/10.1002/smll.201001384	journal	October 2010
Silicene field-effect transistors operating at room temperature Tao, Li; Cinquanta, Eugenio; Chiappe, Daniele Nature Nanotechnology, Vol. 10, Issue 3 https://doi.org/10.1038/nnano.2014.325	journal	February 2015
Diamond as an inert substrate of graphene Hu, Wei; Li, Zhenyu; Yang, Jinlong The Journal of Chemical Physics, Vol. 138, Issue 5 https://doi.org/10.1063/1.4789420	journal	February 2013
Local Reconstructions of Silicene Induced by Adatoms Özçelik, V. Ongun; Ciraci, S. The Journal of Physical Chemistry C, Vol. 117, Issue 49 https://doi.org/10.1021/jp408647t	journal	December 2013
Electrically tunable band gap in silicene Drummond, N. D.; Zólyomi, V.; Fal'ko, V. I. Physical Review B, Vol. 85, Issue 7 https://doi.org/10.1103/PhysRevB.85.075423	journal	February 2012
Partial Dissociation of Water Molecules in the ( 3 × 2 ) Water Monolayer Deposited on the MgO (100) Surface Giordano, Livia; Goniakowski, Jacek; Suzanne, Jean Physical Review Letters, Vol. 81, Issue 6 https://doi.org/10.1103/PhysRevLett.81.1271	journal	August 1998
Germanene: a novel two-dimensional germanium allotrope akin to graphene and silicene Dávila, M. E.; Xian, L.; Cahangirov, S. New Journal of Physics, Vol. 16, Issue 9 https://doi.org/10.1088/1367-2630/16/9/095002	journal	September 2014
Lattice Constants of Graphite at Low Temperatures Baskin, Y.; Meyer, L. Physical Review, Vol. 100, Issue 2 https://doi.org/10.1103/PhysRev.100.544	journal	October 1955
Stability and Exfoliation of Germanane: A Germanium Graphane Analogue Bianco, Elisabeth; Butler, Sheneve; Jiang, Shishi ACS Nano, Vol. 7, Issue 5 https://doi.org/10.1021/nn4009406	journal	March 2013
Adsorption and absorption of boron, nitrogen, aluminum, and phosphorus on silicene: Stability and electronic and phonon properties Sivek, J.; Sahin, H.; Partoens, B. Physical Review B, Vol. 87, Issue 8 https://doi.org/10.1103/PhysRevB.87.085444	journal	February 2013
Ab initiomolecular dynamics for liquid metals Kresse, G.; Hafner, J. Physical Review B, Vol. 47, Issue 1, p. 558-561 https://doi.org/10.1103/PhysRevB.47.558	journal	January 1993
Generalized Gradient Approximation Made Simple Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868 https://doi.org/10.1103/PhysRevLett.77.3865	journal	October 1996
Two-dimensional atomic crystals Novoselov, K. S.; Jiang, D.; Schedin, F. Proceedings of the National Academy of Sciences, Vol. 102, Issue 30, p. 10451-10453 https://doi.org/10.1073/pnas.0502848102	journal	July 2005
Structures and Charging of α-Alumina (0001)/Water Interfaces Studied by Sum-Frequency Vibrational Spectroscopy Zhang, Luning; Tian, Chuanshan; Waychunas, Glenn A. Journal of the American Chemical Society, Vol. 130, Issue 24 https://doi.org/10.1021/ja8011116	journal	June 2008
Structure and Dynamics of the Water/MgO Interface McCarthy, Maureen I.; Schenter, Gregory K.; Scamehorn, Carol A. The Journal of Physical Chemistry, Vol. 100, Issue 42 https://doi.org/10.1021/jp961373i	journal	January 1996
Adsorption and Diffusion of Lithium on Layered Silicon for Li-Ion Storage Tritsaris, Georgios A.; Kaxiras, Efthimios; Meng, Sheng Nano Letters, Vol. 13, Issue 5 https://doi.org/10.1021/nl400830u	journal	April 2013
Water Splits Epitaxial Graphene and Intercalates Feng, Xiaofeng; Maier, Sabine; Salmeron, Miquel Journal of the American Chemical Society, Vol. 134, Issue 12 https://doi.org/10.1021/ja3003809	journal	March 2012
Two-dimensional silicon: the advent of silicene Grazianetti, Carlo; Cinquanta, Eugenio; Molle, Alessandro 2D Materials, Vol. 3, Issue 1 https://doi.org/10.1088/2053-1583/3/1/012001	journal	January 2016
Imaging Water Dissociation on TiO 2 ( 110 ) Brookes, I. M.; Muryn, C. A.; Thornton, G. Physical Review Letters, Vol. 87, Issue 26 https://doi.org/10.1103/PhysRevLett.87.266103	journal	December 2001
Graphene-Like Two-Dimensional Materials Xu, Mingsheng; Liang, Tao; Shi, Minmin Chemical Reviews, Vol. 113, Issue 5, p. 3766-3798 https://doi.org/10.1021/cr300263a	journal	January 2013
Canonical dynamics: Equilibrium phase-space distributions Hoover, William G. Physical Review A, Vol. 31, Issue 3 https://doi.org/10.1103/PhysRevA.31.1695	journal	March 1985
Dissociation of Water on Defective Carbon Substrates Kostov, M. K.; Santiso, E. E.; George, A. M. Physical Review Letters, Vol. 95, Issue 13 https://doi.org/10.1103/PhysRevLett.95.136105	journal	September 2005
Hydrogen storage by metalized silicene and silicane Wang, Jing; Li, Jingbo; Li, Shu-Shen Journal of Applied Physics, Vol. 114, Issue 12 https://doi.org/10.1063/1.4823738	journal	September 2013
Noncovalent Interactions in SIESTA Using the vdW-DF Functional: S22 Benchmark and Macrocyclic Structures Carter, Damien J.; Rohl, Andrew L. Journal of Chemical Theory and Computation, Vol. 8, Issue 1 https://doi.org/10.1021/ct200679b	journal	December 2011
Inducing energy gaps in monolayer and bilayer graphene: Local density approximation calculations Ribeiro, R. M.; Peres, N. M. R.; Coutinho, J. Physical Review B, Vol. 78, Issue 7 https://doi.org/10.1103/PhysRevB.78.075442	journal	August 2008
Wet Electrons at the H2O/TiO2(110) Surface Onda, K. Science, Vol. 308, Issue 5725 https://doi.org/10.1126/science.1109366	journal	May 2005
Evidence for Dirac Fermions in a Honeycomb Lattice Based on Silicon Chen, Lan; Liu, Cheng-Cheng; Feng, Baojie Physical Review Letters, Vol. 109, Issue 5 https://doi.org/10.1103/PhysRevLett.109.056804	journal	August 2012
Mechanisms of Alkyl Sulfonate Adsorption at the Alumina-Water Interface ¹ Somasundaran, P.; Fuerstenau, D. W. The Journal of Physical Chemistry, Vol. 70, Issue 1 https://doi.org/10.1021/j100873a014	journal	January 1966
The Chemistry of Water on Alumina Surfaces: Reaction Dynamics from First Principles Hass, K. C. Science, Vol. 282, Issue 5387 https://doi.org/10.1126/science.282.5387.265	journal	October 1998
State-selective dissociation of a single water molecule on an ultrathin MgO film Shin, Hyung-Joon; Jung, Jaehoon; Motobayashi, Kenta Nature Materials, Vol. 9, Issue 5 https://doi.org/10.1038/nmat2740	journal	April 2010

Similar Records

Adaptively Compressed Exchange Operator for Large-Scale Hybrid Density Functional Calculations with Applications to the Adsorption of Water on Silicene

Journal Article · Tue Feb 07 23:00:00 EST 2017 · Journal of Chemical Theory and Computation · OSTI ID:1456970

Electronic structure calculations of physisorption and chemisorption on oxide glass surfaces

Journal Article · Sat Oct 15 00:00:00 EDT 2005 · Physical Review. B, Condensed Matter and Materials Physics · OSTI ID:20719637

A dissociative model of water

Conference · Tue Dec 30 23:00:00 EST 1997 · OSTI ID:560380

Water on silicene: A hydrogen bond-autocatalyzed physisorption–chemisorption–dissociation transition

Citation Formats

References (91)

Similar Records

Related Subjects