The interface of GaP(100) and H<sub>2</sub>O studied by photoemission and reflection anisotropy spectroscopy

May, Matthias M.; Supplie, Oliver; Höhn, Christian; Krol, Roel van de; Lewerenz, H. J.; Hannappel, Thomas

doi:10.1088/1367-2630/15/10/103003

Cited by 32 publications

(93 citation statements)

References 41 publications

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“…Regarding solar-hydrogen genera tion for energy storage and renewable-fuel production, tandem structures reach optimum theoretical solar-to-hydrogen effi ciencies applying Si as substrate and 1.6 to 1.8 eV band-gap absorbers [3], The latter could be lattice-matched grown by dilute nitride Ga(N,As)P with theoretical photovoltaic tandem efficiencies close to optimum [4], GaP-related surfaces and their interfaces to water are the subject o f current theoretical [5][6][7] as w ell as experimental [8] studies, and the combination with Si(100) for photoelectrochemical (PEC) diodes is highly desired for water splitting [9], Pseudomorphic GaP/Si(100) serves as a quasisubstrate for the subsequent industrially scal able growth o f high-performance electronic and optoelectronic devices, such as multijunction solar cells [4,10] …”

Section: Introductionmentioning

confidence: 99%

Atomic scale analysis of the GaP/Si(100) heterointerface byin situreflection anisotropy spectroscopy andab initiodensity functional theory

et al. 2014

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A microscopic understanding of the formation of polar-on-nonpolar interfaces is a prerequisite for welldefined heteroepitaxial preparation of III-V compounds on (100) silicon for next-generation high-performance devices. Energetically and kinetically driven Si(100) step formations result in majority domains of monohydrideterminated Si dimers oriented either parallel or perpendicular to the step edges. Here, the intentional variation of the Si(100) surface reconstruction controls the sublattice orientation of the heteroepitaxial GaP film, as observed by in situ reflection anisotropy spectroscopy (RAS) in chemical vapor ambient and confirmed by benchmarking to surface science analytics in ultrahigh vacuum. Ab initio density functional calculations of both abrupt and compensated interfaces are carried out. For P-rich chemical potentials at abrupt interfaces, Si-P bonds are energetically favored over Si-Ga bonds, in agreement with in situ RAS experiments. The energetically most favorable interface is compensated with an intermixed interfacial layer. In situ RAS reveals that the GaP sublattice orientation depends on the P chemical potential during nucleation, which agrees with a kinetically limited formation of abrupt interfaces.

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Section: Introductionmentioning

confidence: 99%

Atomic scale analysis of the GaP/Si(100) heterointerface byin situreflection anisotropy spectroscopy andab initiodensity functional theory

et al. 2014

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“…Compared to GaP/Si(100), the peak is more symmetric, shifted about 200 meV towards the E 0 transition and less intense. This behaviour is similar to P-rich GaP(100) after water adsorption-probably modifying the P-H bonds-and subsequent annealing in nitrogen, 12 where the peak shape of P-rich GaP(100) could only be restored when offering hydrogen to the surface. In XPS, we could not detect carbon (as signature of UDMH precursor residuals, see Fig.…”

Section: B Group-v-rich Surfacementioning

confidence: 55%

“…The atomic order at surfaces of GaP(100) is known to have great impact on the initial interface formation to water. 12 In order to grow smooth GaPN epilayers and to prepare well-defined surfaces similar to those of GaP(100), we monitored the entire growth procedures in situ with RAS. Stabilization with UDMH after GaPN growth leads to excess nitrogen at the surface.…”

Section: Discussionmentioning

confidence: 99%

“…12, we showed that the initial formation of the GaP-water interface is strongly dependent on the atomic order at the GaP surface prior to water adsorption. In the following, we will discuss the MOVPE-preparation of GaPN/GaP/Si(100) surfaces in comparison to that of established GaP(100) respectively GaP/Si(100) surfaces.…”

mentioning

confidence: 86%

“…11 Applying in situ reflection anisotropy spectroscopy (RAS), we recently showed that the formation of the interface between GaP(100) and water depends highly on the atomic structure of the GaP surface prior to exposure. 12 RA spectra of P-rich and Ga-rich GaP(100) surfaces are well-understood both in theory 13,14 and experiment, [15][16][17] which enables precise in situ control during MOVPE preparation. Pseudomorphic GaP/Si(100) surfaces can be prepared analogously to GaP(100) regarding atomic order.…”

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Materials for light-induced water splitting: In situ controlled surface preparation of GaPN epilayers grown lattice-matched on Si(100)

Supplie¹,

May²,

Stange³

et al. 2014

Journal of Applied Physics

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Articles you may be interested inLinear thermal expansion coefficient determination using in situ curvature and temperature dependent X-ray diffraction measurements applied to metalorganic vapor phase epitaxy-grown AlGaAs J. Appl. Phys. 114, 033501 (2013); 10.1063/1.4812369In situ control of As dimer orientation on Ge (100) Energy storage is a key challenge in solar-driven renewable energy conversion. We promote a photochemical diode based on dilute nitride GaPN grown lattice-matched on Si(100), which could reach both high photovoltaic efficiencies and evolve hydrogen directly without external bias. Homoepitaxial GaP(100) surface preparation was shown to have a significant impact on the semiconductor-water interface formation. Here, we grow a thin, pseudomorphic GaP nucleation buffer on almost single-domain Si(100) prior to GaPN growth and compare the GaP 0.98 N 0.02 /Si(100) surface preparation to established P-and Ga-rich surfaces of GaP/Si(100). We apply reflection anisotropy spectroscopy to study the surface preparation of GaP 0.98 N 0.02 in situ in vapor phase epitaxy ambient and benchmark the signals to low energy electron diffraction, photoelectron spectroscopy, and x-ray diffraction. While the preparation of the Ga-rich surface is hardly influenced by the presence of the nitrogen precursor 1,1-dimethylhydrazine (UDMH), we find that stabilization with UDMH after growth hinders well-defined formation of the V-rich GaP 0.98 N 0.02 /Si(100) surface. Additional features in the reflection anisotropy spectra are suggested to be related to nitrogen incorporation in the GaP bulk. V C 2014 AIP Publishing LLC.

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A Stress‐Free and Textured GaP Template on Silicon for Solar Water Splitting

Lucci

Charbonnier

Vallet

et al. 2018

Adv Funct Materials

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This work shows that a large-scale textured GaP template monolithically integrated on Si can be developed by using surface energy engineering, for watersplitting applications. The stability of (114)A facets is first shown, based on scanning tunneling microscopy images, transmission electron microscopy, and atomic force microscopy. These observations are then discussed in terms of thermodynamics through density functional theory calculations. A stressfree nanopatterned surface is obtained by molecular beam epitaxy, composed of a regular array of GaP (114)A facets over a 2 in. vicinal Si substrate. The advantages of such textured (114)A GaP/Si template in terms of surface gain, band lineups, and ohmic contacts for water-splitting applications are finally discussed.photosemiconductor catalysts [4,5] is definitely the most promising tech nology for the near future with potentially plethora of hydrogen provided in a clean and sustainable manner. Many recent proposals deal with the use of the GaP semiconductor as a photoelectrode in PEC devices, [6] especially because its bandgap (2.26 eV) is larger than the 1.73 eV photo potential needed for water splitting. [7] Using this idea, demonstrations of GaP based PEC devices [8][9][10][11] and descriptions of the physics/chemistry of the standard GaP surface, [12] its interaction with water [13,14] and hydrogen generation [15] were reported. To enhance conversion efficiency of GaP based PEC devices, strategies like surface functionalization, [10] use of plasmon resonant nanostructures, [16] or integration of nanowires [17] were considered. Meanwhile, it was demonstrated recently that the texturation of surfaces at the electrode level greatly enhances the efficiency of BiVO 4 photoanodes in PEC devices. [18] Structuration of semiconductor surfaces can be per formed by lithography techniques, [19] chemical processes, [20,21] nanowires, or by a selforganization during the epitaxial process of the material itself. [22] This last approach is usually driven by crystal strainrelief processes; it simplifies the postgrowth device processing but does not offer large degrees of freedom,

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The interface of GaP(100) and H₂O studied by photoemission and reflection anisotropy spectroscopy

Cited by 32 publications

References 41 publications

Atomic scale analysis of the GaP/Si(100) heterointerface byin situreflection anisotropy spectroscopy andab initiodensity functional theory

Atomic scale analysis of the GaP/Si(100) heterointerface byin situreflection anisotropy spectroscopy andab initiodensity functional theory

Materials for light-induced water splitting: In situ controlled surface preparation of GaPN epilayers grown lattice-matched on Si(100)

A Stress‐Free and Textured GaP Template on Silicon for Solar Water Splitting

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The interface of GaP(100) and H2O studied by photoemission and reflection anisotropy spectroscopy

Cited by 32 publications

References 41 publications

Atomic scale analysis of the GaP/Si(100) heterointerface byin situreflection anisotropy spectroscopy andab initiodensity functional theory

Atomic scale analysis of the GaP/Si(100) heterointerface byin situreflection anisotropy spectroscopy andab initiodensity functional theory

Materials for light-induced water splitting: In situ controlled surface preparation of GaPN epilayers grown lattice-matched on Si(100)

A Stress‐Free and Textured GaP Template on Silicon for Solar Water Splitting

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The interface of GaP(100) and H₂O studied by photoemission and reflection anisotropy spectroscopy