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All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Anion exchange membrane and methods of making and using the same

Anion exchange membrane and methods of making and using the same. In one embodiment, the anion exchange membrane may be made by a method that includes a two-step polymerization. In the first step, an α-olefin monomer containing a pendant halide, such as 8-bromo-1-octene, may be polymerized by Ziegler-Natta polymerization to form a first polymer portion, the first polymer portion being a homopolymer. In the second step, the polymerization is charged with a non-functionalized α-olefin monomer, such as ethylene, thereby forming a second polymer portion, the second polymer being a copolymer made up predominantly of the non-functionalized olefin monomer. If desired, a small amount of an α-olefin monomer containing a crosslinking functionality may be included in the first and/or second steps. Following the two-step polymerization, the polymer is fabricated into a thin film. Thereafter, the thin film may be functionalized by replacing the pendant halides with pendant cations.

Strasser, Derek J.↗
DOE OSTI2021

Programmable Site‐Specific Functionalization of DNA Origami with Polynucleotide Brushes

Abstract Combining surface‐initiated, TdT (terminal deoxynucleotidyl transferase) catalyzed enzymatic polymerization (SI‐TcEP) with precisely engineered DNA origami nanostructures (DONs) presents an innovative pathway for the generation of stable, polynucleotide brush‐functionalized DNA nanostructures. We demonstrate that SI‐TcEP can site‐specifically pattern DONs with brushes containing both natural and non‐natural nucleotides. The brush functionalization can be precisely controlled in terms of the location of initiation sites on the origami core and the brush height and composition. Coarse‐grained simulations predict the conformation of the brush‐functionalized DONs that agree well with the experimentally observed morphologies. We find that polynucleotide brush‐functionalization increases the nuclease resistance of DONs significantly, and that this stability can be spatially programmed through the site‐specific growth of polynucleotide brushes. The ability to site‐specifically decorate DONs with brushes of natural and non‐natural nucleotides provides access to a large range of functionalized DON architectures that would allow for further supramolecular assembly, and for potential applications in smart nanoscale delivery systems.

Yang, Yunqi↗
DOE OSTI2025

Collection: TD-DFT and EOM-CCSD Calculations for the GDB-9-Ex Dataset

We present two datasets that contain quantum chemical electronic structure calculations for organic molecules from the GDB-9-Ex dataset. The “GDB-9-Ex_TD-DFT-PBE0” dataset contains calculations performed using the time-dependent density functional theory (TD-DFT) first principles method, and the “GDB-9-Ex_EOMCCSD” dataset contains calculations performed using the equation-of-motion coupled cluster (EOM-CCSD) method. Both types of calculations were performed using the ORCA software and provided ultraviolet-visible spectra with a high level of accuracy.

Mehta, Kshitij [Oak Ridge National Laboratory (ORN↗
DOE OSTI2011

Ion distribution measurements to probe target and plasma processes in electronegative magnetron discharges. II. Positive ions

Spectra of the ion mass and energy distributions of positive ions in reactive (Ar/O{sub 2}) and nonreactive (Ar) dc magnetron sputtering discharges have been investigated by energy-resolved mass spectrometry. The results of three sputter target materials, i.e., Cu, In, and W are compared to each other. Besides the main gas constituents, mass spectra reveal a variety of molecular ions which are dependent on the target material. In reactive mode, ArO{sup +} is always observed in Ar/O{sub 2} but molecules containing Ar and the metal were exclusively found for the Cu target. The occurrence of the different ions is explained in the context of their bond strengths obtained from density functional theory calculations. The energy spectra generally contain the known low-energy peak corresponding to the plasma potential. Differently extended high-energy tails due to sputtered material were observed for the different targets. Besides these, high-energetic ions were detected with up to several 100 eV. Their energies are significantly different for Ar{sup +} and O{sup +} with Ar{sup +} strongly depending on the target material. The spectra are discussed together with results from transport of ions in matter (TRIM) calculation to elucidate the origin of these energetic ions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Andra's strategy and approach for operational safety of French underground facility Cigeo - 15127

According to the French Act on radioactive waste of 28 June 2006, Andra shall design a reversible repository. In response to this demand, Andra is developing the industrial project namely 'Cigeo', a reversible geological disposal facility for HLW and ILW located in Meuse/Haute-Marne. The previous safety cases of 2005, 2009 and 2012 give a sound basis to assess Cigeo's safety both for the operational and post-closure periods. Regarding operational safety, in this new stage of the project, the challenging issues for the preparation of the safety case are the following: - To adapt the various regulatory frameworks (nuclear and non-nuclear) to the underground facility - To design the underground facility and handling equipment's to reduce at first risks in the underground facility as such radioactive particles release, gas explosion, fire and co-activity and limit their consequence. - To establish waste acceptance criteria to be fulfilled by waste producers in line with operational safety and design options. The objective of the paper is to present the experience of Andra in operation safety of the underground facility of Cigeo. Operational safety for Cigeo is assessed as much as possible according to the existing French regulations and guidance for nuclear facilities. Indeed, compared to existing nuclear facilities, a geological repository is a specific case due to the existence of underground facilities with particularities such as: - ventilation management in a large scale underground facility, - fire risk management. As an input for the industrial design of Cigeo for operation, Andra defined a fire guidance and a specific reference safety guidance, based on the adaptation of the French nuclear regulatory texts for and when feasible to mines and tunnels regulatory texts and on its own experience gained through safety operational reports since 2005 and their reviews by the Safety Authority. - underground co-activity of nuclear operation with construction works. According to the common 'defense-in depth' principle for nuclear facilities, these guidelines for the industrial design of Cigeo for operation consider the successive levels of defense of: - Preventing the risk and its spreading by design and construction; - Detecting incidents and early fighting by design and operation dispositions (detection and control systems, survey procedure); - Controlling incidents and limiting of their consequences by safeguarding systems, specific procedures. At that stage, design options for Cigeo constitute an adequate response to the operational safety functions and requirements: - Two levels of containment are set up: the first one is ensured by the waste package, the second one is ensured from the surface facility to the disposal vaults by the transfer cask during the transfer of waste packages in the disposal vaults by the disposal vault itself and a nuclear ventilation with HEPA filter; - Favorable options for fire risk prevention and mitigation: transport system minimizing heat load (cable car for the transfer from the surface, electric transfer engines), twin access tunnels to ease fire-fighting and evacuation...; - Permanent complete physical separation of nuclear zone and construction zone (including ventilation systems). In practice, operation safety assessment of Cigeo, designed following the aforesaid reference safety guidelines, follows a common risk analysis (internal aggressions such as auxiliary losses, chemical and toxic risks, fall or collision, fire, human factors and external aggressions such as earthquake, air traffic, flooding) with the following steps: - Identification of the major risks and the design basis scenarios that have to be considered for dimensioning of the installations and the safety devices; - On the basis of these different situations, those who will have to be quantified are identified; one or more representative and envelop situations are chosen in order to evaluate robustness of the installation. Quantitative evaluation of these situations permits to: - identify the consequences on man, environment and installation, and in particular to gain confidence in the maintaining of the safety functions; - identify or define the technic and/or organisational dispositions classified as 'important elements for protection' (IEP); - Situations beyond dimensioning permit to verify the robustness of the installation. They permit, on one hand to identify possible complementary material or organisational dispositions; on the other hand, to define the 'hard core' i.e. structures, systems and components that permit to maintain the confinement function of radioactive substance. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2024

Biosynthesis of Strained Amino Acids by a PLP‐Dependent Enzyme through Cryptic Halogenation

Abstract Amino acids (AAs) are modular building blocks which nature uses to synthesize both macromolecules, such as proteins, and small molecule natural products, such as alkaloids and non‐ribosomal peptides. While the 20 main proteinogenic AAs display relatively limited side chain diversity, a wide range of non‐canonical amino acids (ncAAs) exist that are not used by the ribosome for protein synthesis, but contain a broad array of structural features and functional groups. In this communication, we report the discovery of the biosynthetic pathway for a new ncAA, pazamine, which contains a cyclopropane ring formed in two steps. In the first step, a chlorine is added onto the C 4 position of lysine by a radical halogenase, PazA. The cyclopropane ring is then formed in the next step by a pyridoxal‐5′‐phosphate‐dependent enzyme, PazB, via an S N 2‐like attack at C 4 to eliminate chloride. Genetic studies of this pathway in the native host, Pseudomonas azotoformans , show that pazamine potentially inhibits ethylene biosynthesis in growing plants based on alterations in the root phenotype of Arabidopsis thaliana seedlings. We further show that PazB can be utilized to make an alternative cyclobutane‐containing AA. These discoveries may lead to advances in biocatalytic production of specialty chemicals and agricultural biotechnology.

Sosa, Max B.↗
DOE OSTI2019

Modeling of dielectric function in plasmonic quantum dot nanolaser

In this work we present a model of the dielectric function in plasmonic quantum dot (QD) nanolaser. A metal/semiconductor/metal structure was considered to attain plasmonic nanocavity with active region containing: QD, wetting layer and barrier. The dielectric function was calculated for both metal (Ag) and QD structure. The propagation constant of surface plasmon polariton (SPP) at the interface of Ag/InAs-QD structure was calculated and the dispersion relation of the plasmonic QD structure was evaluated. For frequencies far from plasma one, the gap between real and imaginary parts was large and a deviation from linear relation was obvious. The SPP field was strongly localized at the interface due to the effect of zero-dimensional QD structure which has application in the super-resolution and best sensitivity in optical imaging. Results of propagation length of SPP (L{sub spp}) also support this. According to the L{sub spp} results, the damping in the SPP energy was low in the Ag/InAs-QD compared to that in the Ag/air interface. The obtained results are in the range of experimental ones.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Multihelix rotating shield brachytherapy for cervical cancer

Purpose: To present a novel brachytherapy technique, called multihelix rotating shield brachytherapy (H-RSBT), for the precise angular and linear positioning of a partial shield in a curved applicator. H-RSBT mechanically enables the dose delivery using only linear translational motion of the radiation source/shield combination. The previously proposed approach of serial rotating shield brachytherapy (S-RSBT), in which the partial shield is rotated to several angular positions at each source dwell position [W. Yang et al., “Rotating-shield brachytherapy for cervical cancer,” Phys. Med. Biol. 58, 3931–3941 (2013)], is mechanically challenging to implement in a curved applicator, and H-RSBT is proposed as a feasible solution. Methods: A Henschke-type applicator, designed for an electronic brachytherapy source (Xoft Axxent™) and a 0.5 mm thick tungsten partial shield with 180° or 45° azimuthal emission angles and 116° asymmetric zenith angle, is proposed. The interior wall of the applicator contains six evenly spaced helical keyways that rigidly define the emission direction of the partial radiation shield as a function of depth in the applicator. The shield contains three uniformly distributed protruding keys on its exterior wall and is attached to the source such that it rotates freely, thus longitudinal translational motion of the source is transferred to rotational motion of the shield. S-RSBT and H-RSBT treatment plans with 180° and 45° azimuthal emission angles were generated for five cervical cancer patients with a diverse range of high-risk target volume (HR-CTV) shapes and applicator positions. For each patient, the total number of emission angles was held nearly constant for S-RSBT and H-RSBT by using dwell positions separated by 5 and 1.7 mm, respectively, and emission directions separated by 22.5° and 60°, respectively. Treatment delivery time and tumor coverage (D{sub 90} of HR-CTV) were the two metrics used as the basis for evaluation and comparison. For all the generated treatment plans, the D{sub 90} of the HR-CTV in units of equivalent dose in 2 Gy fractions (EQD2) was escalated until the D{sub 2cc} (minimum dose to hottest 2 cm{sup 3}) tolerance of either the bladder (90 Gy{sub 3}), rectum (75 Gy{sub 3}), or sigmoid colon (75 Gy{sub 3}) was reached. Results: Treatment time changed for H-RSBT versus S-RSBT by −7.62% to 1.17% with an average change of −2.8%, thus H-RSBT treatments times tended to be shorter than for S-RSBT. The HR-CTV D{sub 90} also changed by −2.7% to 2.38% with an average of −0.65%. Conclusions: H-RSBT is a mechanically feasible delivery technique for use in the curved applicators needed for cervical cancer brachytherapy. S-RSBT and H-RSBT were clinically equivalent for all patients considered, with the H-RSBT technique tending to require less time for delivery.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2023

Constraint energy minimizing generalized multiscale finite element method for multi-continuum Richards equations

In fluid flow simulation, the multi-continuum model is a useful strategy. When the heterogeneity and contrast of coefficients are high, the system becomes multiscale, and some kinds of reduced order methods are demanded. Combining these techniques with nonlinearity, we will consider in this paper a dual-continuum model which is generalized as a multi-continuum model for a coupled system of nonlinear Richards equations as unsaturated flows, in complex heterogeneous fractured porous media; and we will solve it by a novel multiscale approach utilizing the constraint energy minimizing generalized multiscale finite element method (CEM-GMsFEM). In particular, such a nonlinear system will be discretized in time and then linearized by Picard iteration (whose global convergence is proved theoretically). Subsequently, we tackle the resulting linearized equations by the CEM-GMsFEM and obtain proper offline multiscale basis functions to span the multiscale space (which contains the pressure solution). More specifically, we first introduce two new sources of samples, and the GMsFEM is used over each coarse block to build local auxiliary multiscale basis functions via solving local spectral problems, that are crucial for detecting high-contrast channels. Second, per oversampled coarse region, local multiscale basis functions are created through the CEM as constrainedly minimizing an energy functional. Various numerical tests for our approach reveal that the error converges with the coarse-grid size and that only few oversampling layers as well as basis functions are needed.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS2017

A Programmable SDN+NFV Architecture for UAV Telemetry Monitoring

With the explosive growth in UAV numbers forecast worldwide, a core concern is how to manage the ad-hoc network configuration required for mobility management. As UAVs migrate among ground control stations, associated network services, routing and operational control must also rapidly migrate to ensure a seamless transition. In this paper, we present a novel, lightweight and modular architecture which supports high mobility, resilience and flexibility through the application of SDN and NFV principles on top of the UAV infrastructure. By combining SDN programmability and Network Function Virtualization we can achieve resilient infrastructure migration of network services, such as network monitoring and anomaly detection, coupled with migrating UAVs to enable high mobility management. Our container-based monitoring and anomaly detection Network Functions (NFs) can be tuned to specific UAV models providing operators better insight during live, high-mobility deployments. We evaluate our architecture against telemetry from over 80flights from a scientific research UAV infrastructure.

Resilience↗
DOE OSTI2016

Beyond ferryl-mediated hydroxylation: 40 years of the rebound mechanism and C–H activation

Since our initial report in 1976, the oxygen rebound mechanism has become the consensus mechanistic feature for an expanding variety of enzymatic C–H functionalization reactions and small molecule biomimetic catalysts. For both the biotransformations and models, an initial hydrogen atom abstraction from the substrate (R–H) by high-valent iron-oxo species (Fe n =O) generates a substrate radical and a reduced iron hydroxide, [Fe n-1 –OH ·R]. This caged radical pair then evolves on a complicated energy landscape through a number of reaction pathways, such as oxygen rebound to form R–OH, rebound to a non-oxygen atom affording R–X, electron transfer of the incipient radical to yield a carbocation, R + , desaturation to form olefins, and radical cage escape. These various flavors of the rebound process, often in competition with each other, give rise to the wide range of C–H functionalization reactions performed by iron-containing oxygenases. In this review, we first recount the history of radical rebound mechanisms, their general features, and key intermediates involved. We will discuss in detail the factors that affect the behavior of the initial caged radical pair and the lifetimes of the incipient substrate radicals. Several representative examples of enzymatic C–H transformations are selected to illustrate how the behaviors of the radical pair [Fe n-1 –OH ·R] determine the eventual reaction outcome. Finally, we discuss the powerful potential of “radical rebound” processes as a general paradigm for developing novel C–H functionalization reactions with synthetic, biomimetic catalysts. We envision that new chemistry will continue to arise by bridging enzymatic “radical rebound” with synthetic organic chemistry.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1980

On One-Dimensional Stretching Functions for Finite-Difference Calculations

The class of one dimensional stretching function used in finite difference calculations is studied. For solutions containing a highly localized region of rapid variation, simple criteria for a stretching function are derived using a truncation error analysis. These criteria are used to investigate two types of stretching functions. One is an interior stretching function, for which the location and slope of an interior clustering region are specified. The simplest such function satisfying the criteria is found to be one based on the inverse hyperbolic sine. The other type of function is a two sided stretching function, for which the arbitrary slopes at the two ends of the one dimensional interval are specified. The simplest such general function is found to be one based on the inverse tangent. The general two sided function has many applications in the construction of finite difference grids.

Vinokur, M.↗
NASA NTRS1994

Lidar performance analysis

Section 1 details the theory used to build the lidar model, provides results of using the model to evaluate AEOLUS design instrument designs, and provides snapshots of the visual appearance of the coded model. Appendix A contains a Fortran program to calculate various forms of the refractive index structure function. This program was used to determine the refractive index structure function used in the main lidar simulation code. Appendix B contains a memo on the optimization of the lidar telescope geometry for a line-scan geometry. Appendix C contains the code for the main lidar simulation and brief instruction on running the code. Appendix D contains a Fortran code to calculate the maximum permissible exposure for the eye from the ANSI Z136.1-1992 eye safety standards. Appendix E contains a paper on the eye safety analysis of a space-based coherent lidar presented at the 7th Coherent Laser Radar Applications and Technology Conference, Paris, France, 19-23 July 1993.

Spiers, Gary D.↗
DOE OSTI2025

Molecular level insight into non-bilayer structure formation in thylakoid membranes: a molecular dynamics study

In oxygenic photosynthetic organisms, the light reactions are performed by protein complexes embedded in the lipid bilayer of thylakoid membranes (TMs). The organization of the bulk lipid molecules into bilayer structures provide optimal conditions for the build-up of the proton motive force (pmf) and its utilization for ATP synthesis. However, the lipid composition of TMs is dominated by the non-bilayer lipid species monogalactosyl diacylglycerol (MGDG), and functional plant TMs, besides the bilayer, contain large amounts of non-bilayer lipid phases. Bulk lipids have been shown to be associated with lumenal, stromal-side and marginal-region proteins and proposed to play roles in the self-assembly and photoprotection of the photosynthetic machinery. Furthermore, it has recently been pointed out that the generation and utilization of pmf for ATP synthesis according to the ‘protet’ or protonic charge transfer model Kell (Biochim Biophys Acta Bioenerg 1865(4):149504, 2024), requires high MGDG content Garab (Physiol Plant 177(2):e70230, 2025). In this study, to gain better insight into the structural and functional roles of MGDG, we employed all atom and coarse-grained molecular dynamics simulations to explore how temperature, hydration levels and varying MGDG concentrations affect the structural and dynamic properties of bilayer membranes constituted of plant thylakoid lipids. Our findings reveal that MGDG promotes increased membrane fluidity and dynamic fluctuations in membrane thickness. MGDG-rich stacked bilayers spontaneously formed inverted hexagonal phases; these transitions were enhanced at low hydration levels and at elevated but physiologically relevant temperatures. It can thus be inferred that MGDG plays important roles in heat and drought stress mechanisms.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2018

Computational Chemistry-Guided Design of Selective Chemoresponsive Liquid Crystals Using Pyridine and Pyrimidine Functional Groups

Computational chemistry-guided designs of chemoresponsive liquid crystals (LCs) with pyridine or pyrimidine groups that bind to metal-cation-functionalized surfaces to provide improved selective responses to targeted vapor species (dimethylmethylphosphonate (DMMP)) over nontargeted species (water) are reported. The LC designs against experiments are tested by synthesizing 4-(4-pentyl-phenyl)-pyridine and 5-(4-pentyl-phenyl)-pyrimidine and quantifying LC responses to DMMP and water. Consistent with the computations, pyridine-containing LCs bind to metal-cation-functionalized surfaces too strongly to permit a response to either DMMP or water whereas pyrimidine-containing LCs undergo a surface-driven orientational transition in response to DMMP without interference from water. The computation predictions are not strongly dependent on assumptions regarding the degree of coordination of the metal ions but are limited in their ability to predict LC responses when using cations with mostly empty d orbitals. Overall, this work identifies a promising new class of chemoresponsive LCs based on pyrimidine that exhibits enhanced tolerance to water, a result that is important because water is a ubiquitous and particularly challenging chemical interferent in chemical sensing strategies based on LCs. The work also provides further evidence of the transformative utility of computational chemistry methods to design LC materials that exhibit selective orientational responses in specific chemical environments.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Nucleobase-Functionalized Poly(alkylthiophene)s: One-Pot, Sequential Direct Arylation Polymerization and Deprotection, and Surface Modification for Oil–Water Separations

Direct arylation polymerization (DArP) has emerged as an environmentally friendly, atom efficient method of synthesizing a variety of conjugated polymers. In this work, we report a one-pot approach consisting of DArP followed by Boc deprotection to synthesize a functional, surface-active adenine-containing poly(alkylthiophene). Careful control over the polymerization temperature enables the one-pot polymerization and deprotection strategy for synthesis, with quantitative (>99%) Boc deprotection achieved in 24 h. This temperature-controlled synthesis method reduces extra purification and isolation steps, which makes the total synthesis more efficient and practical, and allows higher molecular weight polymer to be made. We quantify the hydrogen bonding ability of the resulting adenine-containing polythiophene, T Ad -tT 4h , by 1 H NMR host–guest titration studies and analyze the results with the Benesi–Hildebrand model, yielding an association constant of 18.7 M –1 between alkylated thymine and T Ad -tT 4h . We demonstrate that T Ad -tT 4h robustly modifies the surface of cellulosic filter paper (CFP), and the modified cellulosic filter paper, CFP-T Ad -tT 4h , is an effective oil–water separatory filter with superhydrophobic properties (water contact angle (CA) ~151°). The utility of hydrogen bonding interactions between adenine and cellulose highlights the importance of side-chain engineering for creating functional materials.

36 MATERIALS SCIENCE↗
NASA NTRS1989

What if chondritic porous interplanetary dust particles are not the real McCoy

To select a target comet for a Comet Nucleus Sample Return Mission (CNSRM) it is necessary to have an experimental data base to evaluate the extent of diversity and similarity of comets. For example, the physical properties (e.g., low density) of chondritic porous (CP) interplanetary dust particles (IDPs) are believed to resemble these properties of cometary dust although it is yet to be demonstrated that the porous structure of CP IDPs is inherent to presolar dust particles stored in comet nuclei. Porous structures of IDPs could conceivably form during sublimation at the surface of active comet nuclei. Porous structures are also obtained during annealing of amorphous Mg-SiO smokes which initially forms porous aggregates of olivine + platey tridymite and which, upon continued annealing, react to fluffy enstatite aggregates. It is therefore uncertain that CP IDPs are entirely composed of unmetamorphosed presolar dust. Conceivably, new minerals and textures may form in situ in nuclei of active comets as a function of their individual thermal history. Unmetamorphosed comet dust is probably structurally amorphous. Thermal annealing of this dust can produce ultra fine-grained minerals and this ultrafine grain size of CP IDPs should be considered in assessments of aqueous alterations that could affect presolar dust in comet nuclei between 200 and 400 K. Devitrification and hydration may occur in situ in ice-dust mixtures and the mantle of active comet nuclei. Devitrification, or uncontrolled crystallization, of amorphous precursor dust can produce a range of chemical compositions of ultrafine-grained minerals and (non-equilibrium) mineral assemblages and textures in dust contained in comet nuclei as a function of period and trajectory of orbit and number of perihelion passages (not considering internal heating). Thus, experimental data on relevant processes and reaction rates between 200 and 400 K are needed in order to evaluate comet selection, penetration depth for sampling device and curation of samples for CNSRM.

Rietmeijer, Frans J. M.↗
DOE OSTI2015

Interaction between adsorbed hydrogen and potassium on a carbon nanocone containing material as studied by photoemission

Hydrogen adsorption on a potassium doped carbon nanocone containing material was studied by photoelectron spectroscopy and work function measurement. The valence band spectra indicate that there is charge transfer from potassium to carbon. Upon deposition on carbon potassium is in its ionic state for lower doping and shows both ionic and metallic behavior at higher doping. Adsorption of hydrogen facilitates diffusion of potassium on the carbon material as seen by changes in the K{sub 2p} core level spectrum. Variations in the measured sample work function indicate that hydrogen initially adsorb on the K dopants and subsequently adsorb on the carbon cone containing material.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗