Observation of Surface-Bound Negatively Charged Hydride and Hydroxide on GaP(110) in H2O Environments

Journal of Physical Chemistry C

Volumn 119, Issue 31, 2015, Pages 17762-17772

  Kronawitter, Coleman X ^a   Lessio, Martina ^a   Zhao, Peng ^a   Riplinger, Christoph ^a   Boscoboinik, Anibal ^b   Starr, David E ^c   Sutter, Peter ^b   Carter, Emily A ^a   Koel, Bruce E ^a  

^a PRINCETON UNIVERSITY   (United States)

^b BROOKHAVEN NATIONAL LABORATORY   (United States)

^c HAHN MEITNER INSTITUT   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

CARBON DIOXIDE; CORE LEVELS; DENSITY FUNCTIONAL THEORY; GALLIUM PHOSPHIDE; HYDRIDES; III-V SEMICONDUCTORS; METHANOL; PHOTOELECTRON SPECTROSCOPY; SOLUTIONS;

AMBIENT-PRESSURE PHOTOELECTRON SPECTROSCOPIES; EXPERIMENTAL CONDITIONS; FARADAIC EFFICIENCIES; HYDROGEN EVOLUTION REACTIONS; ISOBARIC MEASUREMENT; PHOTOELECTROCATALYTIC; SURFACE-BOUND SPECIES; THERMODYNAMICALLY STABLE;

GALLIUM;

EID: 84938703142     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/acs.jpcc.5b05361     Document Type: Article

References (65)

1. Lewis, N. S.; Nocera, D. G. Powering the Planet: Chemical Challenges in Solar Energy Utilization Proc. Natl. Acad. Sci. U. S. A. 2006, 103, 15729-15735 10.1073/pnas.0603395103
2. Costentin, C.; Robert, M.; Saveant, J. M. Catalysis of the Electrochemical Reduction of Carbon Dioxide Chem. Soc. Rev. 2013, 42, 2423-2436 10.1039/C2CS35360A
3. Gagliardi, C. J.; Westlake, B. C.; Kent, C. A.; Paul, J. J.; Papanikolas, J. M.; Meyer, T. J. Integrating Proton Coupled Electron Transfer (PCET) and Excited States Coord. Chem. Rev. 2010, 254, 2459-2471 10.1016/j.ccr.2010.03.001
4. 2 to Methanol Using a Catalyzed p-GaP Based Photoelectrochemical Cell J. Am. Chem. Soc. 2008, 130, 6342-6344 10.1021/ja0776327
5. 2 to Methanol: Kinetic, Mechanistic, and Structural Insights J. Am. Chem. Soc. 2010, 132, 11539-11551 10.1021/ja1023496
6. Seshadri, G.; Lin, C.; Bocarsly, A. B. A New Homogeneous Electrocatalyst for the Reduction of Carbon Dioxide to Methanol at Low Overpotential J. Electroanal. Chem. 1994, 372, 145-150 10.1016/0022-0728(94)03300-5
7. 2 in Aqueous Electrolyte ChemElectroChem 2014, 1, 1013-1017 10.1002/celc.201402065
8. 2 Thin Film Photocathode Sol. Energy Mater. Sol. Cells 2013, 108, 170-174 10.1016/j.solmat.2012.09.024
9. 2 to Methanol Comput. Theor. Chem. 2011, 977, 123-127 10.1016/j.comptc.2011.09.012
10. 2 J. Am. Chem. Soc. 2012, 134, 7580-7583 10.1021/ja300128e
11. 2 by Pyridine: Proton Relay in Aqueous Solvent and Aromatic Stabilization J. Am. Chem. Soc. 2013, 135, 142-154 10.1021/ja3064809
12. 2 on Pt(111) J. Phys. Chem. Lett. 2013, 4, 745-748 10.1021/jz400183z
13. 2 J. Am. Chem. Soc. 2012, 134, 13600-13603 10.1021/ja3063106
14. 2 Reduction Mechanisms Chem. Sci. 2013, 4, 1490-1496 10.1039/c3sc22296a
15. 2 Reduction Mechanisms Catalyzed by Surface-Bound Nitrogen Heterocycles J. Phys. Chem. Lett. 2013, 4, 4058-4063 10.1021/jz4021519
16. 2 Reduction on Semiconductor Photoelectrodes Top. Catal. 2015, 58, 46-56 10.1007/s11244-014-0341-1
17. 2 Reduction Mechanisms Catalyzed by Surface-Bound Nitrogen Heterocycles J. Phys. Chem. Lett. 2015, 6, 568-568 10.1021/acs.jpclett.5b00170
18. 2 to Methanol Catalyzed by a Biomimetic Organo-Hydride Produced from Pyridine J. Am. Chem. Soc. 2014, 136, 16081-16095 10.1021/ja510131a
19. 2 Capture by Supported Alkanolamines J. Phys. Chem. C 2014, 118, 19252-19258 10.1021/jp507205t
20. Lee, B. W.; Ni, R. K.; Masud, N.; Wang, X. R.; Wang, D. C.; Rowe, M. Atomic-Structure of GaP (110) and (111) Faces J. Vac. Sci. Technol. 1981, 19, 294-300 10.1116/1.571052
21. Hohenberg, P.; Kohn, W. Inhomogeneous Electron Gas Phys. Rev. 1964, 136, B864 10.1103/PhysRev.136.B864
22. Kohn, W.; Sham, L. J. Self-Consistent Equations Including Exchange and Correlation Effects Phys. Rev. 1965, 140, A1133 10.1103/PhysRev.140.A1133
23. Kresse, G.; Furthmuller, J. Efficiency of Ab-Initio Total Energy Calculations for Metals and Semiconductors Using a Plane-Wave Basis Set Comput. Mater. Sci. 1996, 6, 15-50 10.1016/0927-0256(96)00008-0
24. Kresse, G.; Furthmuller, J. Efficient Iterative Schemes for Ab Initio Total-Energy Calculations Using a Plane-Wave Basis Set Phys. Rev. B: Condens. Matter Mater. Phys. 1996, 54, 11169-11186 10.1103/PhysRevB.54.11169
25. Kresse, G.; Hafner, J. Ab-Initio Molecular-Dynamics for Open-Shell Transition-Metals Phys. Rev. B: Condens. Matter Mater. Phys. 1993, 48, 13115-13118 10.1103/PhysRevB.48.13115
26. Perdew, J. P.; Burke, K.; Ernzerhof, M. Generalized Gradient Approximation Made Simple Phys. Rev. Lett. 1996, 77, 3865-3868 10.1103/PhysRevLett.77.3865
27. Blöchl, P. E. Projector Augmented-Wave Method Phys. Rev. B: Condens. Matter Mater. Phys. 1994, 50, 17953-17979 10.1103/PhysRevB.50.17953
28. Monkhorst, H. J.; Pack, J. D. Special Points for Brillouin-Zone Integrations Phys. Rev. B 1976, 13, 5188-5192 10.1103/PhysRevB.13.5188
29. Kanan, D. K.; Keith, J. A.; Carter, E. A. Water Adsorption on MnO:ZnO(001)-from Single Molecules to Bilayer Coverage Surf. Sci. 2013, 617, 218-224 10.1016/j.susc.2013.07.023
30. Wiberg, E. Die chemische Affinität 2 Aufl.; Verlag de Gruyter: Berlin, 1972.
31. Andersson, K.; Ketteler, G.; Bluhm, H.; Yamamoto, S.; Ogasawara, H.; Pettersson, L. G. M.; Salmeron, M.; Nilsson, A. Bridging the Pressure Gap in Water and Hydroxyl Chemistry on Metal Surfaces: The Cu(110) Case J. Phys. Chem. C 2007, 111, 14493-14499 10.1021/jp073681u
32. 2(110) Surfaces Revealed by Ambient Pressure X-Ray Photoelectron Spectroscopy J. Phys. Chem. C 2007, 111, 8278-8282 10.1021/jp068606i
33. Andersson, K.; Ketteler, G.; Bluhm, H.; Yamamoto, S.; Ogasawara, H.; Pettersson, L. G. M.; Salmeron, M.; Nilsson, A. Autocatalytic Water Dissociation on Cu(110) at near Ambient Conditions J. Am. Chem. Soc. 2008, 130, 2793-2797 10.1021/ja073727x
34. 3(0001) at near Ambient Conditions J. Phys. Chem. C 2010, 114, 2256-2266 10.1021/jp909876t
35. 2O/GaAs(100) Interface: In Situ near-Ambient Pressure XPS Studies J. Phys. Chem. C 2014, 118, 4259-4266 10.1021/jp411977p
36. Zhang, X. Q.; Ptasinska, S. Distinct and Dramatic Water Dissociation on GaP(111) Tracked by near-Ambient Pressure X-ray Photoelectron Spectroscopy Phys. Chem. Chem. Phys. 2015, 17, 3909-3918 10.1039/C4CP04742G
37. Epp, J. M.; Dillard, J. G. Effect of Ion Bombardment on the Chemical Reactivity of Gallium Arsenide(100) Chem. Mater. 1989, 1, 325-330 10.1021/cm00003a010
38. 2S on InP(100) J. Phys. Chem. B 1999, 103, 3663-3668 10.1021/jp984629o
39. Wang, G. C.; Tao, S. X.; Bu, X. H. A Systematic Theoretical Study of Water Dissociation on Clean and Oxygen-Preadsorbed Transition Metals J. Catal. 2006, 244, 10-16 10.1016/j.jcat.2006.07.034
40. 2Oon GaAs Nanowires Probed by near Ambient Pressure X-Ray Photoelectron Spectroscopy Chem. Phys. Lett. 2014, 605, 51-55 10.1016/j.cplett.2014.05.007
41. May, M. M.; Lewerenz, H. J.; Hannappel, T. Optical in Situ Study of InP(100) Surface Chemistry: Dissociative Adsorption of Water and Oxygen J. Phys. Chem. C 2014, 118, 19032-19041 10.1021/jp502955m
42. Shen, X. A.; Small, Y. A.; Wang, J.; Allen, P. B.; Fernandez-Serra, M. V.; Hybertsen, M. S.; Muckerman, J. T. Photocatalytic Water Oxidation at the GaN(101¯0)-Water Interface J. Phys. Chem. C 2010, 114, 13695-13704 10.1021/jp102958s
43. Jeon, S.; Kim, H.; Goddard, W. A.; Atwater, H. A. DFT Study of Water Adsorption and Decomposition on a Ga-Rich GaP(001)(2 × 4) Surface J. Phys. Chem. C 2012, 116, 17604-17612 10.1021/jp3041555
44. Williams, K. S.; Lenhart, J. L.; Andzelm, J. W.; Bandara, S. V.; Baril, N. F.; Henry, N. C.; Tidrow, M. Z. First Principles Investigation of Water Adsorption and Charge Transfer on III-V(110) Semiconductor Surfaces Surf. Sci. 2014, 622, 71-82 10.1016/j.susc.2013.12.007
45. Wood, B. C.; Schwegler, E.; Choi, W. I.; Ogitsu, T. Hydrogen-Bond Dynamics of Water at the Interface with InP/GaP(001) and the Implications for Photoelectrochemistry J. Am. Chem. Soc. 2013, 135, 15774-15783 10.1021/ja403850s
46. Limmer, D. T.; Willard, A. P.; Madden, P.; Chandler, D. Hydration of Metal Surfaces Can Be Dynamically Heterogeneous and Hydrophobic Proc. Natl. Acad. Sci. U. S. A. 2013, 110, 4200-4205 10.1073/pnas.1301596110
47. Mizokawa, Y.; Komoda, O.; Iwasaki, H.; Shen, D. H.; Nakamura, S. Interpretation of Apparent Chemical Shifts in XP Spectra from Oxide-GaP Interfaces J. Electron Spectrosc. Relat. Phenom. 1983, 31, 335-354 10.1016/0368-2048(83)85081-6
48. 0.5P J. Vac. Sci. Technol., B: Microelectron. Process. Phenom. 2001, 19, 207-214 10.1116/1.1342008
49. Katari, J. E. B.; Colvin, V. L.; Alivisatos, A. P. X-Ray Photoelectron-Spectroscopy of CdSe Nanocrystals with Applications to Studies of the Nanocrystal Surface J. Phys. Chem. 1994, 98, 4109-4117 10.1021/j100066a034
50. Ren, D.; Deng, Y.; Handoko, A. D.; Chen, C. S.; Malkhandi, S.; Yeo, B. S. Selective Electrochemical Reduction of Carbon Dioxide to Ethylene and Ethanol on Copper(I) Oxide Catalyst ACS Catal. 2015, 5, 2814-2821 10.1021/cs502128q
51. Aurianblajeni, B.; Halmann, M.; Manassen, J. Electrochemical Measurements on the Photo-Electrochemical Reduction of Aqueous Carbon-Dioxide on p-Gallium Phosphide and p-Gallium Arsenide Semiconductor Electrodes Sol. Energy Mater. 1983, 8, 425-440 10.1016/0165-1633(83)90007-2
52. Flaisher, H.; Tenne, R.; Halmann, M. Photoelectrochemical Reduction of Carbon Dioxide in Aqueous Solutions on p-GaP Electrodes: An AC Impedance Study with Phase-Sensitive Detection J. Electroanal. Chem. 1996, 402, 97-105 10.1016/0022-0728(95)04255-5
53. 2 at a p-GaP Photocathode Chem. Lett. 1990, 1757-1760 10.1246/cl.1990.1757
54. Halmann, M. Photoelectrochemical Reduction of Aqueous Carbon-Dioxide on p-Type Gallium-Phosphide in Liquid Junction Solar-Cells Nature 1978, 275, 115-116 10.1038/275115a0
55. Ikeda, S.; Saito, Y.; Yoshida, M.; Noda, H.; Maeda, M.; Ito, K. Photoelectrochemical Reduction Products of Carbon-Dioxide at Metal Coated p-GaP Photocathodes in Non-Aqueous Electrolytes J. Electroanal. Chem. Interfacial Electrochem. 1989, 260, 335-345 10.1016/0022-0728(89)87148-7
56. Amatore, C.; Saveant, J. M. Mechanism and Kinetic Characteristics of the Electrochemical Reduction of Carbon-Dioxide in Media of Low Proton Availability J. Am. Chem. Soc. 1981, 103, 5021-5023 10.1021/ja00407a008
57. 2 to Liquid Fuels Chem. Soc. Rev. 2009, 38, 89-99 10.1039/B804323J
58. 2 on n-GaAs Electrodes and Selective Methanol Synthesis J. Electrochem. Soc. 1984, 131, 2518-2522 10.1149/1.2115351
59. Skulason, E.; Tripkovic, V.; Bjorketun, M. E.; Gudmundsdottir, S.; Karlberg, G.; Rossmeisl, J.; Bligaard, T.; Jonsson, H.; Nørskov, J. K. Modeling the Electrochemical Hydrogen Oxidation and Evolution Reactions on the Basis of Density Functional Theory Calculations J. Phys. Chem. C 2010, 114, 18182-18197 10.1021/jp1048887
60. Zhou, X. L.; White, J. M.; Koel, B. E. Chemisorption of Atomic-Hydrogen on Clean and Cl-Covered Ag(111) Surf. Sci. 1989, 218, 201-210 10.1016/0039-6028(89)90627-4
61. Christmann, K.; Ertl, G.; Pignet, T. Adsorption of Hydrogen on a Pt(111) Surface Surf. Sci. 1976, 54, 365-392 10.1016/0039-6028(76)90232-6
62. 2 and CO on Strained Ni Overlayers on W(110) and W(100) Surf. Sci. 1987, 187, 463-480 10.1016/S0039-6028(87)80068-7
63. Costentin, C.; Canales, J. C.; Haddou, B.; Saveant, J. M. Electrochemistry of Acids on Platinum. Application to the Reduction of Carbon Dioxide in the Presence of Pyridinium Ion in Water J. Am. Chem. Soc. 2013, 135, 17671-17674 10.1021/ja407988w
64. Butler, M. A.; Ginley, D. S. p-Type GaP as a Semiconducting Photoelectrode J. Electrochem. Soc. 1980, 127, 1273-1278 10.1149/1.2129870
65. 3-Terminated p-Type GaP(111)A J. Phys. Chem. C 2014, 118, 11593-11600 10.1021/jp503147p