Comparative Analysis of the Phase Interaction in Plasma Surfaced NiBSi Overlays with IVB and VIB Transition Metal Carbides

Important applications of transition metal carbides (TMCs) are as wear resistant composite layers deposited by plasma transferred arc welding (PTAW) and laser methods. Growing interest in them has also been observed in additive manufacturing and in HEA technology (bulk composite materials and layers), and in the area of energy conversion and storage. This paper presents the results of comparative studies on interfacial interactions in the NiBSi−TMCs system for two border IVB and VIB TM groups of the periodic table. Model (wettability and spreadability) and application experiments (testing of the PTAW-obtained carbide particle−matrix boundaries) were performed. Fe from partially melted steel substrates is active in the liquid NiBSi−TMCs system. It was revealed that the interaction of TMCs with the liquid NiBSi matrix tends to increase with the group number, and from the top to bottom inside individual groups. Particles of IVB TMCs are decomposed by penetration of the liquid along the grain boundaries, whereas those of VIB are decomposed by solubility in the matrix and secondary crystallization. No transition zones formed at the interfacial boundaries of the matrix−IVB group TMCs, unlike in the case of the VIB group. The experimental results are discussed using the data on the TMC electronic structure and the physicochemical properties.

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Non-layer transition metal carbides for energy conversion and storage

Carbon ◽

10.1016/j.carbon.2021.07.089 ◽

2021 ◽

Vol 183 ◽

pp. 1013

Author(s):

Yin-hong Gao ◽

Xu Nan ◽

Yao Yang ◽

Bing Sun ◽

Wen-li Xu ◽

...

Keyword(s):

Transition Metal ◽

Energy Conversion ◽

Metal Carbides ◽

Layer Transition ◽

Transition Metal Carbides ◽

Energy Conversion And Storage ◽

And Storage

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Transition metal carbides as novel materials for CO2 capture, storage, and activation

Energy & Environmental Science ◽

10.1039/c5ee03649f ◽

2016 ◽

Vol 9 (1) ◽

pp. 141-144 ◽

Cited By ~ 85

Author(s):

Christian Kunkel ◽

Francesc Viñes ◽

Francesc Illas

Keyword(s):

Carbon Dioxide ◽

Transition Metal ◽

Co2 Capture ◽

Density Functional ◽

Room Temperature ◽

Metal Carbides ◽

Transition Metal Carbides ◽

Adsorption Desorption ◽

Low Pressures ◽

And Storage

Transition metal carbides are posed as promising materials for carbon dioxide (CO2) capture and storage at room temperature and low pressures, as shown by density functional simulations on proper models, and estimates of adsorption/desorption rates. Aside, the activated nature of the adsorbed CO2 opens the path for its conversion into other valuable chemicals.

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Hydrogen Trapping and Storage in the Group IVB-VIB Transition Metal Carbides

Materials & Design ◽

10.1016/j.matdes.2022.110399 ◽

2022 ◽

pp. 110399

Author(s):

Rofiques Salehin ◽

Gregory B. Thompson ◽

Christopher R. Weinberger

Keyword(s):

Transition Metal ◽

Hydrogen Trapping ◽

Metal Carbides ◽

Transition Metal Carbides ◽

And Storage

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The Organometallic Chemical Vapor Deposition of Transition Metal Carbides: the Use of Homoleptic Alkyls

MRS Proceedings ◽

10.1557/proc-327-127 ◽

1993 ◽

Vol 327 ◽

Cited By ~ 5

Author(s):

Matthew D. Healy ◽

David C. Smith ◽

Rodrigo R. Rubiano ◽

Robert W. Springer ◽

John E. Parmeter

Keyword(s):

Chemical Vapor Deposition ◽

Transition Metal ◽

Vapor Deposition ◽

Film Growth ◽

Chemical Vapor ◽

Metal Carbides ◽

Transition Metal Carbides ◽

Steel Substrates ◽

Surface Decomposition ◽

Organometallic Chemical Vapor Deposition

AbstractThe organometallic chemical vapor deposition (OMCVD) of transition metal carbides (M = Ti, Zr, Hf, and Cr) from tetraneopentyl-metal precursors has been carried out. Metal carbides can be deposited on Si, A120 3, and stainless steel substrates from M[CH 2C(CH3)3]4 at temperatures in the range of 300 to 750 "C and pressures from 10-2 to 10-4 Torr. Thin films have also been grown using a carrier gas (Ar, H2). The effects of variation of the metal center, deposition conditions, and reactor design on the resulting material have been examined by SEM, XPS, XRD, ERD and AES. Hydrocarbon fragments generated in the deposition chamber have been studied by in-situ mass spectrometry. Complimentary studies examining the UHV surface decomposition of Zr[CH2C(CH3)3]4 have allowed for a better understanding of the mechanism leading to film growth.

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Tuning Transition Metal Carbides Activity by Surface Metal Alloying: Case Study on CO2 Capture and Activation

10.26434/chemrxiv.6377330.v1 ◽

2018 ◽

Author(s):

Marti Lopez ◽

Luke Broderick ◽

John J Carey ◽

Francesc Vines ◽

Michael Nolan ◽

...

Keyword(s):

Transition Metal ◽

Co2 Capture ◽

Density Functional ◽

Deep Understanding ◽

Metal Carbides ◽

Transition Metal Carbides ◽

Adsorption Sites ◽

Surface Metal ◽

A Minor

<div>CO2 is one of the main actors in the greenhouse effect and its removal from the atmosphere is becoming an urgent need. Thus, CO2 capture and storage (CCS) and CO2 capture and usage (CCU) technologies are intensively investigated as technologies to decrease the concentration</div><div>of atmospheric CO2. Both CCS and CCU require appropriate materials to adsorb/release and adsorb/activate CO2, respectively. Recently, it has been theoretically and experimentally shown that transition metal carbides (TMC) are able to capture, store, and activate CO2. To further improve the adsorption capacity of these materials, a deep understanding of the atomic level processes involved is essential. In the present work, we theoretically investigate the possible effects of surface metal doping of these TMCs by taking TiC as a textbook case and Cr, Hf, Mo, Nb, Ta, V, W, and Zr as dopants. Using periodic slab models with large</div><div>supercells and state-of-the-art density functional theory based calculations we show that CO2 adsorption is enhanced by doping with metals down a group but worsened along the d series. Adsorption sites, dispersion and coverage appear to play a minor, secondary constant effect. The dopant-induced adsorption enhancement is highly biased by the charge rearrangement at the surface. In all cases, CO2 activation is found but doping can shift the desorption temperature by up to 135 K.</div>

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