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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 307 records · Page 17
All sourcesNASA NTRSDOE OSTI
DOE OSTI2013

Conversion mechanism of conductivity of phosphorus-doped ZnO films induced by post-annealing

The effects of post-annealing on conductivity of phosphorus-doped ZnO (PZO) films grown at 500 Degree-Sign C by radio frequency magnetron sputtering are investigated in a temperature ranging from 600 Degree-Sign C to 900 Degree-Sign C. The as-grown PZO exhibits n-type conductivity with an electron concentration of 1.19 Multiplication-Sign 10{sup 20} cm{sup -3}, and keeps n-type conductivity as annealed at 600 Degree-Sign C-700 Degree-Sign C but electron concentration decreases with increasing temperature. However, it converts to p-type conductivity as annealed at 800 Degree-Sign C. Further increasing temperature, it still shows p-type conductivity but the hole concentration decreases. It is found that the P occupies mainly Zn site (P{sub Zn}) in the as-grown PZO, which accounts for good n-type conductivity of the as-grown PZO. The amount of the P{sub Zn} decreases with increasing temperature, while the amount of Zn vacancy (V{sub Zn}) increases from 600 Degree-Sign C to 800 Degree-Sign C but decreases greatly at 900 Degree-Sign C, resulting in that the amount of P{sub Zn}-2V{sub Zn} complex increases with increasing temperature up to 800 Degree-Sign C but decreases above 800 Degree-Sign C. It is suggested that the P{sub Zn}-2V{sub Zn} complex acceptor is responsible for p-type conductivity, and that the conversion of conductivity is due to the change of the amount of the P{sub Zn} and P{sub Zn}-2V{sub Zn} with annealing temperature.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2013

Reduction of phosphorus diffusion in germanium by fluorine implantation

The control of phosphorus (P) diffusion in germanium (Ge) is essential for the realisation of ultrashallow n-type junctions in Ge. This work reports a detailed study of the effect of fluorine (F) co-implantation on P diffusion in Ge. P and F profiles were characterized by secondary ion mass spectroscopy. The ion implantation damage was investigated using cross sectional transmission electron microscopy. It is shown that F co-implantation reduces the implanted P profile width and reduces both intrinsic and extrinsic P diffusion in Ge. A defect mediated mechanism for the strong influence of F co-implantation on P diffusion in Ge is proposed and invokes the formation of F{sub n}V{sub m} clusters in the F-amorphized Ge layer. A fraction of these F{sub n}V{sub m} clusters decorate the interstitial type end-of-range defects in the re-grown Ge layer and the rest react during re-growth with interstitial germanium atoms diffusing back from the amorphous crystalline interface. The Ge vacancies are then annihilated and mobile interstitial F is released and out diffuses from the surface. This results in a re-grown Ge layer which has a low vacancy concentration and in which the P diffusion rate is reduced. These results open the way to the realization of enhanced Ge n-type devices.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Silicon nanocrystals with high boron and phosphorus concentration hydrophilic shell—Raman scattering and X-ray photoelectron spectroscopic studies

Boron (B) and phosphorus (P) codoped silicon (Si) nanocrystals, which exhibit very wide range tunable luminescence due to the donor to acceptor transitions and can be dispersed in polar liquids without organic ligands, are studied by Raman scattering and X-ray photoelectron spectroscopies. Codoped Si nanocrystals exhibit a Raman spectrum significantly different from those of intrinsic ones. First, the Raman peak energy is almost insensitive to the size and is very close to that of bulk Si crystal in the diameter range of 2.7 to 14 nm. Second, the peak is much broader than that of intrinsic ones. Furthermore, an additional broad peak, the intensity of which is about 20% of the main peak, appears around 650 cm{sup −1}. The peak can be assigned to local vibrational modes of substitutional B and B-P pairs, B clusters, B-interstitial clusters, etc. in Si crystal. The Raman and X-ray photoelectron spectroscopic studies suggest that a crystalline shell heavily doped with these species is formed at the surface of a codoped Si nanocrystal and it induces the specific properties, i.e., hydrophilicity, high-stability in water, high resistance to hydrofluoric acid, etc.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Doping of ZnO nanowires using phosphorus diffusion from a spin-on doped glass source

In this article, we report on ZnO nanowires that were phosphorus doped using a spin on dopant glass deposition and diffusion method. Photoluminescence measurements suggest that this process yields p-doped ZnO. The spatial location of P atoms was studied using x-ray near-edge absorption structure spectroscopy and it is concluded that the doping is amphoteric with P atoms located on both Zn and O sites.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Superior mechanical flexibility of phosphorene and few-layer black phosphorus

Recently, fabricated two dimensional (2D) phosphorene crystal structures have demonstrated great potential in applications of electronics. Mechanical strain was demonstrated to be able to significantly modify the electronic properties of phosphorene and few-layer black phosphorus. In this work, we employed first principles density functional theory calculations to explore the mechanical properties of phosphorene, including ideal tensile strength and critical strain. It was found that a monolayer phosphorene can sustain tensile strain up to 27% and 30% in the zigzag and armchair directions, respectively. This enormous strain limit of phosphorene results from its unique puckered crystal structure. We found that the tensile strain applied in the armchair direction stretches the pucker of phosphorene, rather than significantly extending the P-P bond lengths. The compromised dihedral angles dramatically reduce the required strain energy. Compared to other 2D materials, such as graphene, phosphorene demonstrates superior flexibility with an order of magnitude smaller Young's modulus. This is especially useful in practical large-magnitude-strain engineering. Furthermore, the anisotropic nature of phosphorene was also explored. We derived a general model to calculate the Young's modulus along different directions for a 2D system.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2014

Understanding and engineering of NiGe/Ge junction formed by phosphorus ion implantation after germanidation

Modulation of the effective electron Schottky barrier height (eSBH) of NiGe/Ge contacts induced by phosphorus ion implantation after germanide formation was investigated by considering local inhomogeneity in the eSBH. Systematic studies of NiGe/Ge contact devices having various germanide thicknesses and ion implantation areas indicated the threshold dopant concentration at the NiGe/Ge interface required for eSBH modulation and negligible dopant diffusion even at NiGe/Ge interface during drive-in annealing, leading to variation in the eSBH between the bottom and sidewall portions of the NiGe regions. Consequently, this method makes it possible to design source/drain contacts with low-resistivity Ohmic and ideal rectifying characteristics for future Ge-based transistors.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

The impacts of electronic state hybridization on the binding energy of single phosphorus donor electrons in extremely downscaled silicon nanostructures

We present the density functional theory calculations of the binding energy of the Phosphorus (P) donor electrons in extremely downscaled single P-doped Silicon (Si) nanorods. In past studies, the binding energy of donor electrons was evaluated for the Si nanostructures as the difference between the ionization energy for the single P-doped Si nanostructures and the electron affinity for the un-doped Si nanostructures. This definition does not take into account the strong interaction of donor electron states and Si electron states explicitly at the conductive states and results in a monotonous increase in the binding energy by reducing the nanostructure's dimensions. In this paper, we introduce a new approach to evaluate the binding energy of donor electrons by combining the projected density of states (PDOS) analysis and three-dimensional analysis of associated electron wavefunctions. This enables us to clarify a gradual change of the spatial distribution of the 3D electron wavefunctions (3DWFs) from the donor electron ground state, which is fully localized around the P donor site to the first conductive state, which spreads over the outer Si nanorods contributing to current conduction. We found that the energy of the first conductive state is capped near the top of the atomistic effective potential at the donor site with respect to the surrounding Si atoms in nanorods smaller than about 27 a{sub 0}. This results in the binding energy of approximately 1.5 eV, which is virtually independent on the nanorod's dimensions. This fact signifies a good tolerance of the binding energy, which governs the operating temperature of the single dopant-based transistors in practice. We also conducted the computationally heavy transmission calculations of the single P-doped Si nanorods connected to the source and drain electrodes. The calculated transmission spectra are discussed in comparison with the atomistic effective potential distributions and the PDOS-3DWFs method.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Charge transfer of single laser crystallized intrinsic and phosphorus-doped Si-nanocrystals visualized by Kelvin probe force microscopy

Isolated intrinsic and phosphorus doped (P-doped) Si-nanocrystals (Si-NCs) on n- and p-Si substrates are fabricated by excimer laser crystallization techniques. The formation of Si-NCs is confirmed by atomic force microscopy (AFM) and conductive AFM measurements. Kelvin probe force microscopy (KPFM) is then carried out to visualize the trapped charges in a single Si-NC dot which derives from the charge transfer between Si-NCs and Si substrates due to their different Fermi levels. The laser crystallized P-doped Si-NCs have a similar Fermi level around the mid-gap to the intrinsic counterparts, which might be caused by the inactivated impurity atoms or the surface states-related Fermi level pinning. A clear rise of the Fermi level in P-doped Si-NCs is observed after a short time thermal annealing treatment, indicating the activation of dopants in Si-NCs. Moreover, the surface charge quantity can be estimated using a simple parallel plate capacitor model for a quantitative understanding of the KPFM results at the nanoscale.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Electronic properties of phosphorus doped silicon nanocrystals embedded in SiO{sub 2}

We study the electronic properties of phosphorus doped Si nanocrystal/SiO2 superlattices and determine the carrier concentration by transient current analysis. This is achieved by encapsulating the multilayers between two electrical insulation layers and controlling the carrier mobility by a defined layer to layer separation. A saturation of the voltage dependent ionized carrier density is observed which indicates complete substitutional dopant ionization and allows to calculate the dopant induced charge carrier density. It is found that the doping efficiency of the superlattice is only 0.12% considering the full ionization regime which explains the unusual small dopant effect on transport characteristics.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Ultrafast recovery time and broadband saturable absorption properties of black phosphorus suspension

As a new type of two-dimensional crystal material, black phosphorus (BP) exhibits excellent electronics and optical performance. Herein, we focus on carrier relaxation dynamics and nonlinear optical properties of BP suspension. Atomic force microscopy, transmission electron microscopy, and optical transmission spectrum are employed to characterize the structure and linear optical properties of the BP. Additionally, pump-probe experiments at wavelength of 1550 nm were carried out to study the carrier dynamics in BP suspension, and ultrafast recovery time was observed (τ{sub s} = 24 ± 2 fs). Furthermore, we demonstrate the saturable absorption signals by open aperture Z-scan experiments at wavelengths of 1550 nm, 532 nm, and 680 nm. The results indicate that BP has broadband saturable absorption properties and the nonlinear absorption coefficients were determined to be β{sub 2} = −0.20 ± 0.08 × 10{sup −3 }cm/GW (532 nm), β{sub 2} = −0.12 ± 0.05 × 10{sup −3 }cm/GW (680 nm), and β{sub 2} = −0.15 ± 0.09 × 10{sup −3 }cm/GW (1550 nm)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Elastic properties of suspended black phosphorus nanosheets

The mechanical properties of black phosphorus (BP) nanosheets suspended over circular holes were measured by an atomic force microscope nanoindentation method. The continuum mechanic model was introduced to calculate the elastic modulus and pretension of BP nanosheets with thicknesses ranging from 14.3 to 34 nm. Elastic modulus of BP nanosheets declines with thickness, and the maximum value is 276 ± 32.4 GPa. Besides, the effective strain of BP ranges from 8 to 17% with a breaking strength of 25 GPa. Our results show that BP nanosheets serve as a promising candidate for flexible electronic applications.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Precise parameterization of the recombination velocity at passivated phosphorus doped surfaces

We investigate the surface recombination velocity S{sub p} at the silicon-dielectric interface of phosphorus-doped surfaces for two industrially relevant passivation schemes for crystalline silicon solar cells. A broad range of surface dopant concentrations together with a high accuracy of evaluating the latter is achieved by incremental back-etching of the surface. The analysis of lifetime measurements and the simulation of the surface recombination consistently apply a set of well accepted models, namely, the Auger recombination by Richter et al. [Phys. Rev. B 86, 1–14 (2012)], the carrier mobility by Klaassen [Solid-State Electron. 35, 953–959 (1992); 35, 961–967 (1992)], the intrinsic carrier concentration for undoped silicon by Altermatt et al. [J. Appl. Phys. 93, 1598–1604 (2003)], and the band-gap narrowing by Schenk [J. Appl. Phys. 84, 3684–3695 (1998)]. The results show an increased S{sub p} at textured in respect to planar surfaces. The obtained parameterizations are applicable in modern simulation tools such as EDNA [K. R. McIntosh and P. P. Altermatt, in Proceedings of the 35th IEEE Photovoltaic Specialists Conference, Honolulu, Hawaii, USA (2010), pp. 1–6], PC1Dmod [Haug et al., Sol. Energy Mater. Sol. Cells 131, 30–36 (2014)], and Sentaurus Device [Synopsys, Sentaurus TCAD, Zürich, Switzerland] as well as in the analytical solution under the assumption of local charge neutrality by Cuevas et al. [IEEE Trans. Electron Devices 40, 1181–1183 (1993)].

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

First-principles study of hydrogen-enhanced phosphorus diffusion in silicon

We present a first-principles study on the interstitial-mediated diffusion process of neutral phosphorus (P) atoms in a silicon crystal with the presence of mono-atomic hydrogen (H). By relaxing initial Si structures containing a P atom and an H atom, we derived four low-energy P-H-Si defect complexes whose formation energies are significantly lower than those of P-Si defect complexes. These four defect complexes are classified into two groups. In group A, an H atom is located near a Si atom, whereas in group B, an H atom is close to a P atom. We found that the H atom pairs with P or Si atom and changes the nature bonding between P and Si atoms from out-of-phase conjugation to in-phase conjugation. This fact results in the lower formation energies compare to the cases without H atom. For the migration of defect complexes, we have found that P-H-Si defect complexes can migrate with low barrier energies if an H atom sticks to either P or Si atom. Group B complexes can migrate from one lattice site to another with an H atom staying close to a P atom. Group A complexes cannot migrate from one lattice site to another without a transfer of an H atom from one Si atom to another Si atom. A change in the structure of defect complexes between groups A and B during the migration results in a transfer of an H atom between P and Si atoms. The results for diffusion of group B complexes show that the presence of mono-atomic H significantly reduces the activation energy of P diffusion in a Si crystal, which is considered as a summation of formation energy and migration barrier energy, leading to the enhancement of diffusion of P atoms at low temperatures, which has been suggested by recent experimental studies.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Phosphorus sorption on tropical soils with relevance to Earth system model needs

Phosphorus (P) availability critically limits the productivity of tropical forests growing on highly weathered, low-P soils. Although efforts to incorporate P into Earth system models (ESMs) provide an opportunity to better estimate tropical forest response to climate change, P sorption dynamics and controls on soil P availability are not well constrained. Here, we measured P and dissolved organic carbon (DOC) sorption isotherms on 23 soils from tropical Oxisol, Ultisol, Inceptisol, Andisol, and Aridisol soils using P concentrations from 10 to 500mg P L -1 , and DOC concentrations from 10 to 100mg DOC L -1 . Isotherms were fit to the Langmuir equation and parameters were related to soil characteristics. Maximum P sorption capacity ( Qmax ) was significantly correlated with clay content (ρ=0.658) and aluminium (Al)- or iron (Fe)-oxide concentrations (ρ=0.470 and 0.461 respectively), and the DOC Qmax was correlated with Fe oxides (ρ=0.491). Readily available soil characteristics could eventually be used to estimate Qmax values. Analysis of literature values demonstrated that the maximum initial P concentration added to soils had a significant impact on the resultant Qmax , suggesting that an insufficiently low initial P range could underestimate Qmax . This study improves methods for measuring P Qmax and estimating Qmax in the absence of isotherm analyses and provides key data for use in ESMs.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2018

Facile bottom-up synthesis of partially oxidized black phosphorus nanosheets as metal-free photocatalyst for hydrogen evolution

Few-layer black phosphorus (BP) nanosheets were first reported as a 2D material for the application of field-effect transistors in 2014 and have stimulated intense activity among physicists, chemists, and material and biomedical scientists, driving research into novel synthetic techniques to produce BP nanosheets. At present, exfoliation is the main route toward few-layer BP nanosheets via employing bulk BP as raw material. However, this is a complicated and time-consuming process, which is difficult for the large-scale synthesis of BP nanosheets. Moreover, BP degrades rapidly when exfoliated to nanoscale dimensions, resulting in the rapid loss of semiconducting properties. Here in this paper, we report the direct wet-chemical synthesis of few-layer BP nanosheets in gram-scale quantities in a bottom-up approach based on common laboratory reagents at low temperature, showing excellent stability due to partial oxidation of surface. Solvent and temperature are two critical factors, controlling not only the formation of BP nanosheets but also the thickness. The as-prepared BP nanosheets can extract hydrogen from pure water (pH = 6.8), exhibiting more than 24-fold higher activity than the well-known C 3 N 4 nanosheets. Our results reporting the ability to prepare few-layer BP nanosheets with a facile, scalable, low-cost approach take us a step closer to real-world applications of phosphorene including next-generation metal-free photocatalysts for photosynthesis.

08 HYDROGEN↗
DOE OSTI2019

Climate-driven oscillation of phosphorus and iron limitation in the North Pacific Subtropical Gyre

The supply of nutrients is a fundamental regulator of ocean productivity and carbon sequestration. Nutrient sources, sinks, residence times, and elemental ratios vary over broad scales, including those resulting from climate-driven changes in upper water column stratification, advection, and the deposition of atmospheric dust. These changes can alter the proximate elemental control of ecosystem productivity with cascading ecological effects and impacts on carbon sequestration. Here, we report multidecadal observations revealing that the ecosystem in the eastern region of the North Pacific Subtropical Gyre (NPSG) oscillates on subdecadal scales between inorganic phosphorus (P i ) sufficiency and limitation, when P i concentration in surface waters decreases below 50–60 nmol⋅kg −1 . In situ observations and model simulations suggest that sea-level pressure changes over the northwest Pacific may induce basin-scale variations in the atmospheric transport and deposition of Asian dust-associated iron (Fe), causing the eastern portion of the NPSG ecosystem to shift between states of Fe and P i limitation. Our results highlight the critical need to include both atmospheric and ocean circulation variability when modeling the response of open ocean pelagic ecosystems under future climate change scenarios.

Pacific Decadal Oscillation↗
DOE OSTI2019

African biomass burning is a substantial source of phosphorus deposition to the Amazon, Tropical Atlantic Ocean, and Southern Ocean

The deposition of phosphorus (P) from African dust is believed to play an important role in bolstering primary productivity in the Amazon Basin and Tropical Atlantic Ocean (TAO), leading to sequestration of carbon dioxide. However, there are few measurements of African dust in South America that can robustly test this hypothesis and even fewer measurements of soluble P, which is readily available for stimulating primary production in the ocean. To test this hypothesis, we measured total and soluble P in long-range transported aerosols collected in Cayenne, French Guiana, a TAO coastal site located at the northeastern edge of the Amazon. Our measurements confirm that in boreal spring when African dust transport is greatest, dust supplies the majority of P, of which 5% is soluble. In boreal fall, when dust transport is at an annual minimum, we measured unexpectedly high concentrations of soluble P, which we show is associated with the transport of biomass burning (BB) from southern Africa. Integrating our results into a chemical transport model, we show that African BB supplies up to half of the P deposited annually to the Amazon from transported African aerosol. As such, this observational study links P-rich BB aerosols from Africa to enhanced P deposition in the Amazon. Contrary to current thought, we also show that African BB is a more important source of soluble P than dust to the TAO and oceans in the Southern Hemisphere and may be more important for marine productivity, particularly in boreal summer and fall.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2012

PHOSPHORUS CHEMISTRY IN THE SHOCKED REGION L1157 B1

We study the evolution of phosphorus-bearing species in one-dimensional C-shock models. We find that the abundances of P-bearing species depend sensitively on the elemental abundance of P in the gas phase and on the abundance of N atoms in the pre-shock gas. The observed abundance of PN and the non-detection of PO toward L1157 B1 are reproduced in C-shock models with shock velocity v = 20 km s{sup -1} and pre-shock density n(H{sub 2}) 10{sup 4}-10{sup 5} cm{sup -3}, if the elemental abundance of P in the gas phase is {approx}10{sup -9} and the N-atom abundance is n(N)/n{sub H} {approx}10{sup -5} in the pre-shock gas. We also find that P-chemistry is sensitive to O- and N-chemistry because N atoms are destroyed mainly by OH and NO. We identify the reactions of O-bearing and N-bearing species that significantly affect P-chemistry.

79 ASTRONOMY AND ASTROPHYSICS↗