Engineering Papers⌕ Search

Engineering topics

Chen, Xi

Publications and source records attributed to Chen, Xi.

At least 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

A Roadmap to Low-Cost Hydrogen with Hydroxide Exchange Membrane Electrolyzers

Hydrogen is an ideal alternative energy carrier to generate power for all of society's energy demands including grid, industrial, and transportation sectors. Among the hydrogen production methods, water electrolysis is a promising method because of its zero greenhouse gas emission and its compatibility with all types of electricity sources. Alkaline electrolyzers (AELs) and proton exchange membrane electrolyzers (PEMELs) are currently used to produce hydrogen. AELs are commercially mature and are used in a variety of industrial applications, while PEMELs are still being developed and find limited application. In comparison with AELs, PEMELs have more compact structure and can achieve higher current densities. Recently, however, an alternative technology to PEMELs, hydroxide exchange membrane electrolyzers (HEMELs), has gained considerable attention due to the possibility to use platinum group metal (PGM)-free electrocatalysts and cheaper membranes, ionomers, and construction materials and its potential to achieve performance parity with PEMELs. Here, the state-of-the-art AELs and PEMELs along with the current status of HEMELs are discussed in terms of their positive and negative aspects. Additionally discussed are electrocatalyst, membrane, and ionomer development needs for HEMELs and benchmark electrocatalysts in terms of the cost-performance tradeoff.

08 HYDROGEN↗
DOE OSTI2019

Top Launch for Higher Off-axis Electron Cyclotron Current Drive Efficiency

Efficient off-axis current drive is crucial for economic, steady-state tokamak fusion power plants. "Top Launch" electron cyclotron current drive (ECCD) is one promising method for driving strong off-axis current to achieve the desired broad current profile for the Advanced Tokamak regime. New simulations show that by launching the electron cyclotron (EC) waves downwards (or upwards) nearly parallel to the resonance plane with a large toroidal steering, higher current drive efficiency can be obtained at large radii owing to the large Doppler shift, wave-particle interactions on HFS of the plasma, and the long absorption path. Implementations on CFETR and DIII-D are simulated identifying clear benefits and optimal configurations. The design of a prototype test being installed on DIII-D is presented, which will experimentally validate whether top launch ECCD can be an improved efficiency current drive technique for future fusion reactors.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2019

Unbiased solar H 2 production with current density up to 23 mA cm -2 by Swiss-cheese black Si coupled with wastewater bioanode

Unbiased photoelectrochemical hydrogen production with high efficiency and durability is highly desired for solar energy storage. Here, we report a microbial photoelectrochemical (MPEC) system that demonstrated superior performance when equipped with bioanodes and black silicon photocathode with a unique “Swiss-cheese” interface. The MPEC utilizes the chemical energy embedded in wastewater organics to boost solar H 2 production, which overcomes barriers on anode H 2 O oxidation. Without any bias, the MPEC generates a record photocurrent (up to 23 mA cm -2 ) and retains prolonged stability for over 90 hours with high Faradaic efficiency (96–99%). The calculated turnover number for MoS x catalyst during a 90 h period is 495 471 with an average frequency of 1.53 s -1 . The system replaced pure water on the anode with actual wastewater and achieved waste organic removal up to 16 kg COD m -2 photocathode per day. Cost credits from concurrent wastewater treatment and low-cost design make photoelectrochemical H 2 production practical for the first time.

08 HYDROGEN↗
DOE OSTI2019

Experimental Implementation of a Quantum Autoencoder via Quantum Adders

Abstract Quantum autoencoders allow for reducing the amount of resources in a quantum computation by mapping the original Hilbert space onto a reduced space with the relevant information. Recently, it is proposed to employ approximate quantum adders to implement quantum autoencoders in quantum technologies. Here, the experimental implementation of this proposal in the Rigetti cloud quantum computer is carried out employing up to three qubits. The experimental fidelities are in good agreement with the theoretical prediction, thus proving the feasibility to realize quantum autoencoders via quantum adders in state‐of‐the‐art superconducting quantum technologies.

Ding, Yongcheng↗
DOE OSTI2019

Trends and Descriptors of Metal-Modified Transition Metal Carbides for Hydrogen Evolution in Alkaline Electrolyte

Here in this study, the experimentally measured hydrogen evolution reaction exchange current densities for metal monolayer-modified transition metal carbides (TMCs) are correlated with density functional theory calculations of adsorbed hydrogen and hydroxyl binding energies. The correlation reveals a volcano relationship in alkaline electrolytes, while the hydroxyl binding energy does not appear to show a strong correlation. These results should provide guidance for further improving the electrocatalytic activity of metal-modified TMCs in an alkaline environment.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Readily Available Primary Aminoboranes as Powerful Reagents for Aldimine Synthesis

Abstract Primary aminoboranes (RNHBR 2 ), which are readily available by spontaneous dehydrocoupling of amines and boranes cleanly react at room temperature with aldehydes to give aldimines. The overall transformation from amines to aldimines can be conveniently performed by a sequential one‐pot reaction. This synthetic strategy is especially useful for electron poor and bulky amines which are reluctant to react with aldehydes under dehydration conditions. Using a Glorius robustness screen, we show that this methodology is chemoselective, and functional group tolerant. Computational and experimental data support the irreversible formation of the aldimine product in marked contrast with traditional methods.

Junor, Glen P.↗
DOE OSTI2019

The Nature of Hydrogen Adsorption on Platinum in the Aqueous Phase

Abstract The thermodynamic state of H 2 adsorbed on Pt in the aqueous phase was determined by kinetic analysis of H 2 reacting with D 2 O to HDO, HD, and D 2 , and by DFT‐based ab initio molecular dynamics simulations of H 2 adsorption on Pt(111), Pt(110), and Pt nanoparticles. Dissociative adsorption of H 2 on Pt is significantly weakened in the aqueous phase compared to adsorption at gas–solid interfaces. Water destabilizes the adsorbed H atoms, decreasing the heat of adsorption by 19–22 kJ while inducing an additional entropy loss of 50–70 J K −1 . Upon dissociative adsorption of H 2 , the average distance of water from the Pt surface increases and the liquid adopts a structure that is more ordered than before close to the Pt surface, which limits the translation mobility of the adsorbed H atoms. The presence of hydrated hydronium ions next to the Pt surface further lowers the H−Pt bond strength.

Yang, Guoju↗
DOE OSTI2019

The Nature of Hydrogen Adsorption on Platinum in the Aqueous Phase

H2 adsorption properties on Pt in aqueous phase was determined by a reaction kinetic measurement of gas H2 reacting with liquid D2O into liquid HDO, gas HD and D2, and a DFT based ab inito molecular dynamic simulation of H2 adsorption on Pt (111) in the presence and absence of water. Both approaches show that the H2 adsorption on Pt in water is much weaker than that in the gas phase. The presence of interfacial water destabilizes the adsorbed H on Pt via decreasing the adsorption heat (hydrogen binding energy) by 19 - 22 kJ·molH2-1 and inducing an extra entropy loss of 50 - 70 J·mol H2-1·K-1. Upon H adsorption on Pt, the closest water layer near Pt surface shifts to a larger distance from the surface and re-orientates to a more ordered structure; in turn, the water layer limits the translation mobility of adsorbed H on Pt. The influence of interfacial water property on H2 adsorption is also reflected by the decrease of adsorption heat with the decrease of local pH provided by the support. Research was funded by the Laboratory Directed Research and Development program at Pacific Northwest National Laboratory.

Yang, Guoju↗
DOE OSTI2019

Facile Fabrication of a Multifunctional Metal–Organic Framework-based Sensor Exhibiting Exclusive Solvochromic Behaviors toward Ketone Molecules

To probe the efficient strategy for preparing a multifunctional sensing material, the facile synthesis strategies and successful examples are urgently required. Through the utilization of a hexadentate ligand derived from cyclotriphosphazene, which displays spiral configurations and multiple connection modes, a novel metal–organic framework (MOF) was constructed via one-step synthesis from low-cost raw materials. The presence of multiple interaction sites decorating the helical channels of the reported MOF gives rise to exclusive solvochromic-sensing behavior for small ketone molecules such as acetone, acetophenone, and 2,5-diketohexane. Additionally, the helical structure of a manganese-carboxylate chain allows for the pore volume not only be available for the adsorption of large organic molecules but also enables the enantiopure selective separation of 1-phenylethanol (ee 35.99 %). Furthermore, the structural analysis of the acetophenone-encapsulated sample allowed the solvochromic mechanism to be elucidated, which should be ascribed to the strong hydrogen-bonding interaction between the guest molecules and specific sites on a host matrix. The experimental results have not only clearly manifested the vital role of starting materials of MOFs, including the connection modes and spatial configuration, but also have provided very valuable insight for the future assembly of novel multifunctional sensing materials.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Readily Available Primary Aminoboranes as Powerful Reagents for Aldimine Synthesis

Primary aminoboranes (RNHBR 2 ), which are readily available by spontaneous dehydrocoupling of amines and boranes cleanly react at room temperature with aldehydes to give aldimines. The overall transformation from amines to aldimines can be conveniently performed by a sequential one-pot reaction. This synthetic strategy is especially useful for electron poor and bulky amines which are reluctant to react with aldehydes under dehydration conditions. Using a Glorius robustness screen, we show that this methodology is chemoselective, and functional group tolerant. Finally, computational and experimental data support the irreversible formation of the aldimine product in marked contrast with traditional methods.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Cross-boundary collaboration in waste management research: A network analysis

Highlights: • No core scholars stood out from cross-boundary research collaboration networks. • No institution occupied a critical position. • Old-line developed countries stay in the center of research than developing ones. • More research has focused on “hard” technologies than “soft” measures. • CBRC from different perspectives were limited but increasing steadily over time. - Abstract: This paper aims to illustrate the cross-boundary research collaboration (CBRC) landscape of waste management (WM) by various collaboration networks. Through a set of rigorous procedures, a total of 15,396 research papers were extracted from eight subject-related journals published between 1981 and 2016. The authors utilized CiteSpace, a Java programme that helps visualize and dissect patterns in scientific literature, to evaluate the content through individual, institutional, national, and disciplinary perspectives. The evaluations of three former perspectives revealed a steady rise in CBRC within WM over the last thirty-five years, although the overall intensities proved fairly low. Inter-individual collaboration groups were limited to their respective regions and only loosely connected, but as more and more academic institutions and universities engaged in WM research, the number and quality of the collaborations increased. Developed countries, chiefly in North America and Western Europe, comprised the bulk of the WM research, whilst the mounting contributions from developing countries, China in particular, forecasts greater diversity in the future. The analysis also suggested that the intensity of the interdisciplinary collaboration network declined slightly, however, the intensity proved low to begin with. Previous WM research focused more on “hard” technologies than “soft” measures. Future endeavors to encourage CBRC in WM should promote more innovative research to tackle waste challenges globally in a sustainable way.

54 ENVIRONMENTAL SCIENCES↗