bluuebunny/crossref_metadata_2025_split huggingface dataset:
(Invited) Hydrogen Is an AWSM Energy Materials Network!
Authors: Dinh Huyen N. , Randolph Katie , Weber Adam Z. , McDaniel Anthony H. , Boardman Richard , Ogitsu Tadashi , Colon-Mercado Hector , Peterson David , Vickers James W , Miller Eric L. 
Published: February 2020

The Energy Materials Network (EMN) is a Department of Energy (DOE) network of national lab-led consortium aimed at accelerating the development and commercial deployment of novel materials by enhancing the accessibility of unique material research resources at the national laboratories to external stakeholders, such as academia and industry. The HydroGEN EMN was launched in October 2016 by the DOE Office of Energy Efficiency and Renewable Energy (EERE) Fuel Cell Technologies Office (FCTO).
HydroGEN (https://www.h2awsm.org/) EMN is a six-lab consortium, led by the National Renewable Energy Laboratory (NREL). It currently comprises six core national laboratories: NREL, Sandia National Laboratory (SNL), Lawrence Berkeley National Laboratory (LBNL), Idaho National Laboratory (INL), Lawrence Livermore National Laboratory (LLNL), and Savannah River National Laboratory (SRNL). HydroGEN aims to accelerate the discovery and development advanced water splitting materials (AWSM) for sustainable, large-scale hydrogen production, in order to more effectively enable the widespread commercialization of hydrogen and fuel cell technologies. With the rollouts of fuel cell electric vehicles (FCEVs) by major automotive manufacturers underway, enabling AWS technologies for the widespread production of affordable, sustainable hydrogen becomes increasingly important.
Hydrogen is a unique energy carrier in that it can be produced from a number of diverse pathways, utilizing a variety of domestically available feedstocks, including natural gas, biomass, and water. Advanced water splitting (AWS) technologies, including advanced electrolysis (low and high temperature), photoelectrochecmical (PEC) and solar thermochemical (STCH) routes, are some of the more versatile pathways, and will play a significant role in long-term, high volume sustainable production.
The HydroGEN Consortium offers an extensive collection of materials research capabilities for addressing RD&D challenges in efficiency, durability and cost. Leveraging the HydroGEN Consortium’s staff of leading technical experts and broad collection of resource capabilities is expected to advance the maturity and technology readiness levels in all the advanced water splitting technologies. In June 2017, DOE EERE FCTO announced the award of 18 new HydroGEN seedling projects, and one project focused on benchmarking advanced water splitting technologies. These 19 new projects utilized 44 unique capabilities across the six HydroGEN core labs. Furthermore, it is a nationwide R&D effort that comprises 10 national labs, 6 companies, and 22 universities. This presentation will provide an overview of the HydroGEN EMN consortium and highlight some of the advanced water electrolysis projects that are focused on hydrogen and oxygen evolution catalysis.
Dual-Ligand Synergistic Modulated Nico-Sulfhydroxides with High Activity and Stability As Oxygen Evolution Electrocatalysts
Authors: Peng Lishan , Shen Jingjun , Lin Taicheng , Wei Zidong 
Published: February 2020

The most knotty problem of (electro)catalysis that arises ubiquitously is the notion that the more active catalysts for oxygen evolution reaction (OER) will simultaneously suffer from low resistance toward corrosion. In developing cost-effective stable materials for the oxygen evolution reaction with high activity, precisely tuning the structure of transition-metal materials in atomic level to obtain ideal chemical properties is urgent while difficult to achieve1. In this study, we propose a “dual ligand synergistic modulation” tactics to completely solve the painful compromise between the two conflicted indicators: stability and activity. By substituting S ligand into the adjustable and stable structure of layered hydroxides, which was selected as the start noumenon, we obtain a new class of NiCo2(Sx·OH2-x)y with single phase and homogenous composition. The elaborated designed dual-ligand catalyst ideally inherits the excellent activity of the conventional transition metal sulfides and the superior stability of the conventional transition metal hydroxides and even exceeds the predecessors. Impressively, the optimized NiCo2(SOH)x performs a small overpotential of 0.32 V at 10 mA cm-2, and shows no decay after 30h accelerated ageing even at a large current density of 100 mA cm-2, both of which have entered the top of all the transition-metal hydroxides and sulfides reported to date and exceeded the commercial RuO2 and Ir/C benchmarks. Theoretical calculations further disclose that the OH ligands on the surface of NiCo2(SOH)x could attracts electrons from the antibonding orbital of M-S bonds to M-O bonds, resulting in a strengthened binding energy between metal and S and thus enhancing the stability. Meanwhile, the synergy between S ligands and OH groups appropriately tunes the electronic structure of NiCo2(SOH)x and thus renders it with optimal binding energies for OER intermediates (*OH, *O, and *OOH), which is benefit for facilitate the O2 evolution proceeding. Besides, the varied magnetism induced by the modulation of catalysts’ electronic structure significantly influences the desorption action of paramagnetic O2 from the catalyst surface. The special non-magnetic NiCo2(SOH)x suffers the lowest O2 desorption resistance and proceeds the smoothest reaction kinetics pathway among NiCo2(SxOH2-x)y catalysts, thus owning the topmost OER activity.
Figure 1. (a) The ultimate unity of OER performance of NiCo2(SxOH2-x)y. (b) The reaction steps and corresponding free energy diagram of the OER process. (c) OER polarization curves of Ni, RuO2, NiCo2S4, NiCo2(OH)x, and NiCo2(SOH)x and (d) Chronoamperometric curves of Ni, NiCo2(SOH)x and NiCo2S4 at a current density of 100mA/cm2.

Key words: Oxygen evolution, electrocatalysis, dual-ligand modulation

Reference:

Lishan Peng, Jun Wang, Yao Nie, Kun Xiong, Yao Wang, Ling Zhang, Ke Chen, Wei Ding, Li Li, and Zidong Wei*.
ACS Catal.
, 2017, 7, 8184-8191.

Figure 1
Activity and Stability Relationship for Anion Doped CoSxSe2-X Dichalcogenides for the Hydrogen Evolution Reaction
Authors: Li Yawei , Chatterjee Swarnendu , Snyder Joshua David 
Published: February 2020

As an ideal clean energy carrier, hydrogen can be produced through polymer electrolyte membrane (PEM) electrolysis by generating H2 from H2O. However, noble platinum group metals (PGM) remain the most common electrocatalysts for hydrogen evolution reaction (HER). The expense and scarcity of these catalytic materials obstruct the wide-spread adoption of electrochemical fuel generation technologies 1. Sulfur based transition metal dichalcogenides (TMDs) have emerged as a promising alternative to PGM HER electrocatalysts as they are abundant, inexpensive, and exhibit a low HER overpotential in acidic environment 2,3.
Here we present a systemic assessment of the compositional dependent HER activity and stability for Co-based mixed chalcogen, CoSxSe2-x, pyrite TMDs. We observe a decrease in HER activity from the single chalcogen TMDs, CoS2 and CoSe2, to mixed chalcogen TMDs, as shown in Figure 1. This observed compositional trend in HER activity can be explained by the unique combination of compositional dependent hydrogen adsorption free energy (ΔGHad) and bulk resistivity/conductivity of the pyrite TMD. With near thermoneutral ΔGHad, the highest resistivity among the compositions was observed. The following increase in Se content leads to the decrease in HER activity due to a steady movement away from optimal ΔGHad. As the composition approaches CoSe2, however, it is observed that HER activity again increases at higher Se contents, with CoSe2 exhibiting similar activity to CoS2. This highlights the convolution of ΔGHad and material conductivity in determining the HER activity. Furthermore, through stability tests under constant potential HER electrolysis, as shown in Figure 2, Se-rich Co-based pyrite TMDs are found to be more durable than S-rich samples. Therefore, with an HER activity matching that of CoS2, but with a dramatic improvement in stability, CoSe2 breaks away from the traditional inverse activity/stability relationship and represents a promising material for non-PGM HER electrocatalysis in acidic based PEM electrolyzers.

Wang, J. et al. Mater.
28, (2016) 215-230.

Chhowalla, H. et al. Nature Chemistry
5, (2013) 263-275.

Jaramillo, T. et al. Science
317, (2007) 100-102.

Figure 1
(Invited) How Can We Maintain the Excellent Performance of the PEM Electrolyzer without the Use of Platinum Group Metals?
Authors: Jensen Jens Oluf 
Published: February 2020

The PEM electrolyzer is superior to the alkaline as well as the solid oxide electrolyzers when it comes to rate capability and practical footprint. The cell owes its attractive properties to the combination of a good oxygen reduction catalyst and a durable and highly conductive membrane. The story could end here and often it does, but it is important to realize that there is also a severe limitation to the large-scale roll-out of this system. It relies on platinum group metals for catalysts and in most cases also noble metal coatings of cell components to limit the contact resistance in the acidic environment.
The noble metal issue (cost and availability) and the prospects for replacement of iridium oxide as oxygen catalyst are discussed. Platinum replacement is an active field within PEM fuel cell research. Why is that not the case to a similar extent for PEM electrolyzers? Finally, an alternative route to electrolyzers with rate capability like the PEM electrolyzers, but without the use of noble metals is suggested.
A Novel and Economical Rde-Based Approach for Investigating the Oxidation Evolution Reaction Activity of IrO2-Based Catalyst Coated Membranes
Authors: Kwan Jason Tai Hong , Kroschel Matthias , Nouri-Khorasani Amin , Bonakdarpour Arman , Strasser Peter , Wilkinson David P. 
Published: February 2020

Polymer electrolyte membrane water electrolyzers (PEMWE) are clean and scalable energy conversion devices that can assist with electricity peak shaving and storage by converting electricity into hydrogen as an energy carrier 1. However, performance, durability and cost of these systems still require further improvements before they can be widely adopted. In particular, it is desired to have more efficient and lower cost oxygen evolution reaction (OER) electrocatalysts for the anode, because of the high cost and potential losses that are associated with this electrode2. Screening of catalyst materials, as well other expensive cell components (e.g., Ti current collectors and Ti endplates), is in general a slow and rather expensive process due to the inherent high costs of test cell equipment, and the difficulties associated with cell assembly3. Alternative methods based on commonly available and small laboratory-scale electrochemical test equipment, such as the rotating disk electrode, can facilitate the screening process.
We present a novel and economical method for testing electrolysis CCMs and potential current collectors in a rotating electrode (RDE) setup. This method eliminates the difficulties which are often associated with ink preparation and sample drying which are encountered in thin film RDE (TF-RDE) testing. Very recently, we have successfully demonstrated this approach for evaluation of oxygen reduction reaction (ORR) electrocatalysts used in PEMFC applications4. The modified-RDE (MRDE) presented here allows a user to obtain very high current densities (~ 2 A cm-2) which is similar to those normally obtained with PEMWE hardware and test stations (Figure 1). Polarization measurements, kinetic analysis and accelerated degradation tests (ADT) have been performed with a commercial IrO2-based CCM using the MRDE, and are compared with those of PEMWE hardware results. The approach, methodology and the results will be presented at the meeting.

References:

A. S. Aricò, S. Siracusano, N. Briguglio, V. Baglio, A. Di Blasi, and V. Antonucci, J. Appl. Electrochem., 43, 107–118 (2013).

H. Dau, C. Limberg, T. Reier, M. Risch, S. Roggan, and P. Strasser, ChemCatChem, 2, 724–761 (2010).

A. S. Lohoff, L. Poggemann, M. Carmo, M. Müller, and D. Stolten, J. Electrochem. Soc., 163, F3153–F3157 (2016) http://jes.ecsdl.org/lookup/doi/10.1149/2.0211611jes.

J. T. H. Kwan, A. Bonakdarpour, G. Afonso, and D. P. Wilkinson, Electrochim. Acta, 258, 208–219 (2017) http://linkinghub.elsevier.com/retrieve/pii/S0013468617322090.

Figure 1: The effect of different titanium current collector meshes on OER performance using a commercial IrO2-based CCM obtained by the MRDE tool. Inset shows pictures of the different Ti meshes examined.

Figure 1
The Enhancement Effect of Borate Doping on the Oxygen Evolution Activity of α-Nickel Hydroxide
Authors: Zhang Zhao , Zhang Tianran , Lee Jim Yang 
Published: February 2020

ABSTRACT:
The availability of low-cost, high-efficiency oxygen evolution catalysts is pivotal to the application of renewable energy conversion and storage systems based on solar energy and water splitting reactions. We demonstrate here that a moderate amount (~12 wt%) of borate doping of crystalline α-Ni(OH)2, a common low-cost catalyst, can lower the Tafel slope of the oxygen evolution reaction (OER) from the typical value of 60 mV decade-1 to 43 mV decade-1; and the overpotential for 10 mA cm-2 of current density from 390 mV to 340 mV in 0.1 M KOH aqueous solution. Borate doping also improves the stability of α-Ni(OH)2 in OER. The borate-doped α-Ni(OH)2 can even surpass the reference Ir/C precious metal catalyst in both activity and stability. These results here highlights the potential of borate doping as a promising strategy to increase the catalytic activity of base metal in water oxidation catalysts.
Figure Caption:
a). Cyclic voltammograms of OER on borate-doped α-Ni(OH)2 (denoted as B-NOH), α-Ni(OH)2 (denoted as NOH), and Ir/C
b). The volcano curve of OER overpotential as a function of the boron content of B-NOH
c). The proposed mechanism on a borate-coordinated Ni active center.

Figure 1
A Bifunctional Electrocatalyst for Full Water Splitting: CoNi@BSCF Encapsulated in N-Doped Carbon
Authors: Lyu Yuqi , Ciucci Francesco 
Published: February 2020

Oxygen evolution reaction (OER) and hydrogen evolution reaction (HER) are two half reactions of full electrochemical water splitting, which is a promising solution to produce hydrogen, a clean and renewable energy carrier to replace fossil fuels. Up to now, the benchmark catalysts for OER and HER are noble metal based materials, such as IrO2 and Pt/C. However, the scarcity, extremely high cost, and poor stability of these noble metals highly limit their large-scale commercialization. Ba0.5Sr0.5Co0.8Fe0.2O3−δ (BSCF), a perovskite material with cubic structure, has been recognized as one of the most promising OER catalysts to replace noble metals. The excellent OER activity of BSCF is partially due to its high oxygen vacancy content, which, however, leads to a relatively poor operation stability. As to HER, BSCF also shows superior performance in comparison to other oxide catalysts, but still far from comparable to Pt/C.
Herein, we report a facile way to enhance the operation stability as well as the HER and OER activity of BSCF. Through hydrothermal preparation and mechanical ball milling, we obtained a three-layer composite containing BSCF particles, CoNi nanoparticles, and N-doped carbon. With the protection of carbon shell, this composite, CoNi@BSCF/NC, displays a significant enhanced stability in both OER and HER in comparison to BSCF in alkaline media. The OER activity of CoNi@BSCF/NC is much higher than that of BSCF, including a smaller onset potential (by 30 mV) and a smaller overpotential at 10 mA/cm2 (by 72 mV). More interestingly, this composite displays a self-improvement in OER activity during CV test, while BSCF shows obvious activity decay upon CV cycle numbers. This is mostly due to (i) the gradually oxidation of Ni in CV process, (ii) the protection of carbon shell, and (iii) the synergistic effect of BSCF and CoNi nanoparticles. Moreover, the HER activity of CoNi@BSCF/NC is also greatly improved with a small onset potential, which is 180 mV smaller than BSCF. Furthermore, CoNi@BSCF/NC also shows an excellent performance in full water splitting with our homemade electrolyzer, with a small overpotential at 10 mA/cm and good operation stability. Our study shows that CoNi@BSCF/NC is one of the best OER catalysts reported so far and among the best perovskite-based HER catalysts. This work may open new opportunity to further enhance the activity and operation stability of some state-of-the-art catalysts, such as BSCF.
Effect of Co-Generated MoO3 on the Electrocatalytic Hydrogen Evolution Performance of O2 Plasma Modified MoS2
Authors: Zhang Chengxu , Jiang Lin , Hu Jue , Leung Michael K.H. , Zhang Yingjie 
Published: February 2020

Extensive efforts have been devoted to developing MoS2 nanostructures to maximize the number of active edge sites [1], but little attention has been paid to simultaneously tailoring of both the edge and planar structure itself for enhancing the HER kinetics. In this work, we used the one-step O2 plasma modification to simultaneously engineer the edge and planar structure of MoS2 to fabricate the high-performance MoS2 electrocatalyst with defect-rich edge and oxygen-doped planar structure. We further notice that the influence of the inevitably generated MoO3 species on the HER activity and stability of MoS2 and its structure changes after long-term electrocatalytic reaction, which are significant to understand the HER electrocatalysis on the O-incorporated MoS2 catalysts, however, are still unknown [2]. Herein, controlled plasma exposure time has been designed to explore the influence of MoO3 species on the HER performance of O2 plasma modified MoS2 catalysts. We find that the MoO3 species in MoS2 are not conductive to the HER electrocatalysis. More importantly, these co-generated MoO3 species are reduced and resolved from the MoS2 lattice during the electrocatalytic hydrogen evolution, leading to a holey structure in the MoS2 nanosheets and thus a significant improvement of its hydrogen evolution stability (Figure 1a). This work is the first to explore the Janus effect of O2 plasma modification on MoS2 for acceleration the hydrogen evolution reaction, and opens a new way to developing layered materials for electrochemical energy applications. Aside from the fundamental insight attained from the rational materials design, the MoS2 O2-plasma 60s catalyst exhibits a boosted HER activity with the overpotential as low as 131 mV at the current density of 10 mA/cm2 and striking long-term durability, better than most reported MoS2-based catalysts (Figure 1b).

Figure captions

Figure 1. (a) Polarization curves recorded from the MoS2 O2-plasma 60s catalyst at a scan rate of 5 mV/s before and after the chronopotentiometry test. Inset: chronopotentiometry responses (η ~ t) recorded at a constant current density of -10 mA/cm2. (b) TEM image of the MoS2 O2-plasma 60s sample after the chronopotentiometry test at -10 mA/cm2 for 20 hours.

References

[1] Hu J, Huang B, Zhang C, Wang Z, An Y, Zhou D, et al. Engineering stepped edge surface structures of MoS2 sheet stacks to accelerate the hydrogen evolution reaction. Energy Environ Sci. 2017;10:593-603.
[2] Tao L, Duan X, Wang C, Duan X, Wang S. Plasma-engineered MoS2 thin-film as an efficient electrocatalyst for hydrogen evolution reaction. Chem Commun. 2015;51:7470-3.

Figure 1
(Invited) Water Adsorption on Transition Metal Oxide Pure IrO2, RuO2 and Alloy RuxIr1-XO2(110) Surfaces Investigated By Density Functional Theory
Authors: Oliveira Luiz , Franco Alejandro A. , Loffreda David 
Published: February 2020

RuO2 and IrO2 are the most used catalyst materials for water electrolysis in the anode electrode of the so-called polymer electrolyte membrane water electrolyzers (PEMWE), the former presents higher activity and the latter a higher resistance to corrosion. Therefore alloys, RuxIr1-xO2, have been proposed in order to enhance the stability of the anode electrode without affecting its activity. However, up to date, the origins of such an improvement are not elucidated. In this article, we propose to progress on that question by exploring the adsorption properties of one water molecule on model surfaces of RuO2(110), IrO2(110) and RuxIr1-xO2(110) from density functional theory (DFT) calculations. The manuscript details several initial structures of water molecule above the metal oxide surfaces. Energetics of adsorption of water on those oxide surfaces is presented and compared, as well as magnetic properties of these systems, an element which is rarely detailed in the corresponding literature. In particular, the role of the second metal in the alloy oxide surface on the adsorption properties is addressed by playing with the relative surface composition between Ru and Ir and alloying structure. For a substantial content of Ir in the surface of RuO2(110) (1D model), our DFT results show that the adsorption properties are similar to those on pure RuO2(110). This means that these particular mixed oxide surfaces should exhibit an equivalent activity than the one on pure RuO2(110), and in the same time, a larger resistance to corrosion due to the presence of Ir.
This work is a prerequisite towards a systematic investigation of the adsorption of intermediate species for the oxygen evolution reaction (OER) on model surfaces of the aforementioned materials.
A Spatially-Reduced Dynamic Thermal Model for Liquid Cooling Lithium-Ion Battery Pack
Authors: Dan Dan , Zhang Yangjun 
Published: February 2020

In electric vehicles, thermal management of a battery pack is becoming critical as both excessive and low temperature may affect the overall battery life and even trigger disastrous damage to a battery pack. Therefore, estimating the temperature distribution and its variation over time is an essential requirement to ensure safe and provide design guidance for control strategy.
This study carries out a transient thermal model to predict the thermal behavior of a square lithium-ion battery pack with liquid cooling thermal management system. Different from Equivalent thermal circuit (ETC) model, which can only predict a lumped temperature of a battery cell, a one-dimensional thermal model was built in this study to estimate the temperature distribution throughout the cell and its variation over time according to the structural feature and the liquid cooling mode.
The model is based on the Green function method, capable of calculating one-dimensional thermal dynamics and achieving high accuracy with low calculation requirements, making it suitable for real-time control. A second order equivalent circuit model was used in the approach to predict the dynamics of the cell voltage and SOC in relation with the current. Then the electric model is coupled with a lumped thermal model to describe the dynamics of internal temperature distribution of one cell. Based on this cell model, a coupled flow-electro-thermal model for a battery pack was built, which was able to predict the uneven heat generation during the charge and discharge procedure under different cooling conditions.
3D CFD calculation was conducted for the model calibration and validation results are presented to support the proposed modeling approach.