Structure and energetics of hydrogen-bonded networks of methanol on close packed transition metal surfaces.
暂无分享,去创建一个
E. A. Lewis | Angelos Michaelides | E Charles H Sykes | J. Carrasco | A. Michaelides | E. Sykes | C. J. Murphy | Ashleigh E Baber | A. Baber | Javier Carrasco | T. Lawton | Colin J Murphy | Timothy J Lawton | Melissa L Liriano | Emily A Lewis | M. Liriano | Melissa L. Liriano | E. Sykes
[1] Nauta,et al. Formation of cyclic water hexamer in liquid helium: the smallest piece of Ice , 2000, Science.
[2] N. Bartelt,et al. Pentagons and heptagons in the first water layer on Pt(111). , 2010, Physical review letters.
[3] S. Sarkar,et al. Molecular clusters and correlations in liquid methanol at room temperature , 1993 .
[4] Ertl,et al. Scanning tunneling microscopy observations on the reconstructed Au(111) surface: Atomic structure, long-range superstructure, rotational domains, and surface defects. , 1990, Physical review. B, Condensed matter.
[5] G. Kresse,et al. From ultrasoft pseudopotentials to the projector augmented-wave method , 1999 .
[6] Michael A. Henderson,et al. The Interaction of Water with Solid Surfaces: Fundamental Aspects Revisited , 2002 .
[7] D. A. King,et al. Hydrogen bonds at metal surfaces: Universal scaling and quantification of substrate effects , 2006 .
[8] A. Michaelides,et al. Ice nanoclusters at hydrophobic metal surfaces. , 2007, Nature materials.
[9] G. Zimbitas,et al. Growth of intact water ice on Ru(0001) between 140 and 160 K: experiment and density-functional theory calculations , 2006 .
[10] S. Haq,et al. Water adsorption and the wetting of metal surfaces , 2009 .
[11] D. Nordlund,et al. Structure and bonding of water on Pt(111). , 2002, Physical review letters.
[12] Fabio Biscarini,et al. Electrochemically etched nickel tips for spin polarized scanning tunneling microscopy , 2000 .
[13] T. Mitsui,et al. Water Diffusion and Clustering on Pd(111) , 2002, Science.
[14] Glenn Jones,et al. Water and ammonia on Cu{110}: comparative structure and bonding. , 2013, Physical chemistry chemical physics : PCCP.
[15] Wei‐Xue Li,et al. First-Principles Study on the Origin of the Different Selectivities for Methanol Steam Reforming on Cu(111) and Pd(111) , 2010 .
[16] W. Lipscomb,et al. On the crystal structures, residual entropy and dielectric anomaly of methanol , 1952 .
[17] Shona M. Johnston,et al. The structure of methanol and methoxy on Cu(1 1 1) , 2003 .
[18] Adélio Mendes,et al. Catalysts for methanol steam reforming—A review , 2010 .
[19] Marcella Iannuzzi,et al. Chiral distortion of confined ice oligomers (N = 5,6). , 2012, Langmuir : the ACS journal of surfaces and colloids.
[20] C. Mullins,et al. Surface Chemistry of Methanol on Clean and Atomic Oxygen Pre-Covered Au(111) , 2008 .
[21] S. Holloway,et al. Water adsorption on metal surfaces: an electrochemical viewpoint , 1981 .
[22] J. Carrasco,et al. The Energy of Hydroxyl Coadsorbed with Water on Pt(111) , 2011 .
[23] E. Wang,et al. Water adsorption on metal surfaces: A general picture from density functional theory studies , 2004 .
[24] B. Weckhuysen,et al. Selective oxidation of methanol to hydrogen over gold catalysts promoted by alkaline-earth-metal and lanthanum oxides. , 2009, ChemSusChem.
[25] K. Rieder,et al. Formation of the cyclic ice hexamer via excitation of vibrational molecular modes by the scanning tunneling microscope , 2002 .
[26] E. Karp,et al. Energetics of adsorbed methanol and methoxy on Pt(111) by microcalorimetry. , 2012, Journal of the American Chemical Society.
[27] M. Kawai,et al. Vibrational study of water dimers on Pt(1 1 1) using a scanning tunneling microscope , 2008 .
[28] Patricia A. Thiel,et al. The interaction of water with solid surfaces: Fundamental aspects , 1987 .
[29] K. Jordan,et al. Hydroxyl chain formation on the Cu(110) surface: Watching water dissociation , 2008 .
[30] B. M. Powell,et al. Structure of the α-phase of solid methanol , 1989 .
[31] A. Alavi,et al. Insight into H 2 O -ice adsorption and dissociation on metal surfaces from first-principles simulations , 2004 .
[32] K. Rieder,et al. Electronic excitation of ice monomers on Au(111) by scanning tunneling microscopy , 2005 .
[33] P. Feibelman. Water--From Interfaces to the Bulk. Concluding remarks. , 2009, Faraday discussions.
[34] D. Bowler,et al. Van der Waals density functionals applied to solids , 2011, 1102.1358.
[35] J. Carrasco,et al. Visualization of hydrogen bonding and associated chirality in methanol hexamers. , 2011, Physical review letters.
[36] A. Michaelides. Simulating ice nucleation, one molecule at a time, with the 'DFT microscope'. , 2007, Faraday discussions.
[37] J. Carrasco,et al. A Molecular Perspective of Water at Metal Interfaces , 2012 .
[38] Shaoyi Jiang,et al. Transport diffusion of liquid water and methanol through membranes , 2002 .
[39] Kresse,et al. Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set. , 1996, Physical review. B, Condensed matter.
[40] I. Hamada,et al. Direct observation of hydrogen-bond exchange within a single water dimer. , 2008, Physical review letters.
[41] W. Liu,et al. Benzene adsorbed on metals: Concerted effect of covalency and van der Waals bonding , 2012, 1209.4345.
[42] B. Maté,et al. Phases of solid methanol. , 2009, The journal of physical chemistry. A.
[43] M. Salmeron,et al. Molecular structure of water at interfaces: wetting at the nanometer scale. , 2006, Chemical reviews.
[44] D. Hamann,et al. Theory and Application for the Scanning Tunneling Microscope , 1983 .
[45] K. Gibson,et al. Step effects in the thermal decomposition of methanol on Pt(111) , 1990 .
[46] D. F. Ogletree,et al. Metal- and hydrogen-bonding competition during water adsorption on Pd(111) and Ru(0001). , 2009, Journal of the American Chemical Society.
[47] J. Carrasco,et al. Hydrogen-bonded assembly of methanol on Cu(111). , 2012, Physical chemistry chemical physics : PCCP.
[48] J. Weidner,et al. Review of Direct Methanol Fuel Cells , 2007 .
[49] D. Bowler,et al. Chemical accuracy for the van der Waals density functional , 2009, Journal of physics. Condensed matter : an Institute of Physics journal.
[50] A. Tkatchenko,et al. Insight into the description of van der Waals forces for benzene adsorption on transition metal (111) surfaces. , 2014, The Journal of chemical physics.
[51] H. Ogasawara,et al. Chemical bonding of water to metal surfaces studied with core-level spectroscopies , 2010 .
[52] M. Dion,et al. van der Waals density functional for general geometries. , 2004, Physical review letters.
[53] L. Andersohn,et al. In situ observation of water adsorption on Si(100) with scanning tunneling microscopy , 1993 .
[54] A. Tkatchenko,et al. On the accuracy of van der Waals inclusive density-functional theory exchange-correlation functionals for ice at ambient and high pressures. , 2013, The Journal of chemical physics.
[55] Marcella Iannuzzi,et al. Investigation of Boron Nitride Nanomesh Interacting with Water , 2011 .
[56] M. Bocquet,et al. Charge control of the water monolayer/Pd interface , 2007 .
[57] I. Hamada,et al. Hydrogen-bond imaging and engineering with a scanning tunnelling microscope , 2011 .
[58] A. Michaelides. Density functional theory simulations of water–metal interfaces: waltzing waters, a novel 2D ice phase, and more , 2006 .
[59] Wilson,et al. Determination of atom positions at stacking-fault dislocations on Au(111) by scanning tunneling microscopy. , 1989, Physical review. B, Condensed matter.
[60] Jingguang G. Chen,et al. Experimental and theoretical study of reactivity trends for methanol on Co/Pt(111) and Ni/Pt(111) bimetallic surfaces. , 2007, The Journal of chemical physics.
[61] Robert A Dagle,et al. Methanol steam reforming for hydrogen production. , 2007, Chemical reviews.
[62] J. Carrasco,et al. A molecular perspective of water at metal interfaces. , 2012, Nature materials.
[63] K. Scott,et al. Direct Methanol Fuel Cells: Fundamentals, Problems and Perspectives , 2007 .
[64] E. Sykes,et al. Hydrogen-Bonded Networks in Surface-Bound Methanol , 2011 .