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<span style="font-size:10.5pt; font-family:"Arial","sans-serif"; color:#1F497D">***** Seminar *****</span><span style="color:#1F497D"></span></p>
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<b><span style="font-size:16.0pt; color:#1F497D">Department of Electrical and Computer Engineering</span></b><span style="font-size:16.0pt; color:#1F497D"></span></p>
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<b><span style="font-size:16.0pt; color:#1F497D">Materials Engineering Program</span></b></p>
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<b><span style="font-size:14.0pt; color:#1F497D">Center for Integrated Bio and Nano Systems</span></b></p>
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<b><span style="font-size:14.0pt; color:#1F497D"> February 28, 2020</span></b><span style="font-size:14.0pt; color:#1F497D"></span></p>
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<b><span style="font-size:14.0pt; color:#1F497D">10:30 a.m., Room: AH108 </span></b><span style="font-size:14.0pt; color:#1F497D"></span></p>
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<b><span style="font-size:18.0pt; color:#1F497D">Layered MoS<sub>2</sub> materials: Catalysis and Beyond! </span></b></p>
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<span style="font-size:18.0pt; color:#1F497D">Manuel Ramos</span></p>
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<span style="font-size:16.0pt; color:#1F497D">Departamento de Física y Matemáticas</span></p>
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<span style="font-size:16.0pt; color:#1F497D">UACJ-Instituto de Ingeniería y Tecnología, México</span></p>
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<b><span style="color:#1F497D">Abstract</span></b><span style="font-size:11.0pt; font-family:"Calibri","sans-serif"; color:#1F497D">:</span><span style="color:#1F497D"> The catalytic sites of cobalt promoted MoS<sub>2</sub> catalytic materials is present in
here by meaning of field emission transmission electron microscopy in scanning and transmission mode. The aim is to depict crystallographic and electronic structure on those materials. Our results indicate that sulfur termination sites are more idealistic
(energetic favorable [eV]) for adsorption of sulfur-content molecules as reflected by density functional theory computer assisted calculations.
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<span style="color:#1F497D">The usage of electron microscopy to determine structure/function relationships on nano-scaled catalytic materials has brought great insights, mainly when studying cobalt-promoted MoS<sub>2</sub> unsupported catalyst<sup>1,2</sup>.
On the other hand, the development of computer assisted code to determine electronic structure as based in “density” methods allows to understand many aspects such as electronic donation from cobalt into molybdenum as both shared sulfur bonding1, oxidation
process and carburization aspects<sup>3</sup>. In that regards, we present in here two fundamental aspects: 1) Molecular structure of mixed phase of Cobalt sulfide and Molybdenum Sulfide (Co<sub>9</sub>S<sub>8</sub>/MoS<sub>2</sub>) based on experimental observations
made by electron microscopy. 2) The catalytic sites of the as proposed molecular bulk model1. Our results indicate vertical contact between MoS<sub>2</sub> slabs onto (111)-Co9S8 planes and the electronic structure reveals a high metallic character with sulfur
termination as most active sites for adsorption of sulfur content molecules as calculated using transitional states by Halgren-Lipscomb algorithm. 3) Co/MoS2 were also synthesized by hydrothermal methods and final products highly investigated by both as mentioned
techniques. Along with other investigations using atom probe tomography for MoS<sub>2</sub>/ITO Interfaces for photovoltaic engineering applications.</span></p>
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<span style="color:#1F497D">Our findings indicate a bulk structure as reveal by high-resolution transmission electron microscopy with (101)-MoS<sub>2</sub> planar contact onto (111)-Co9S8 causing the slabs to nucleate vertically. The structure was subjected
to carbonization in a “in-situ” operando TEM experiment and we find that carbon undergoes at sulfur edge termination provoking bending of layered material<sup>2</sup>. By density of states it was possible to determine a metallic character near Fermi level
with irreducible point value of kF ~0.56Å<sup>-1</sup> as indicated by Band Structure. The carbide phase as observed by TEM indicate carbon located at the edge, in agreement with DFT computations performed in Co/MoS<sub>2</sub> crystal and inclusion of cobalt
atoms were observed from Rietveld refinement for Co/MoS<sub>2</sub> microspheres with radius distance of 3.17Å to 2.2Å in Mo-Mo bonding expanding the lattice<sup>3</sup>.</span></p>
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<span style="color:#1F497D">REFERENCES</span></p>
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<span style="color:#1F497D">[1] Manuel A. Ramos et al., Catal. Sci. Technol., 2012, 2, 164–178.</span></p>
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<span style="color:#1F497D">[2] Manuel Ramos et al. Ultramicroscopy 127:64-69 (2012).</span></p>
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<span style="color:#1F497D">[3] Manuel Ramos et al. Nature Scientific Reports | 7: 12322</span></p>
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<span style="color:#1F497D">[4] Manuel Ramos et al. MRS Communications (2019), doi:10.1557/mrc.2019.150.
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<b><span style="font-size:11.0pt; font-family:"Calibri","sans-serif"; color:#1F497D"> </span><span style="color:#1F497D">Biosketch:</span></b><span style="color:#1F497D"> Prof. Dr. Manuel Ramos is a native of Cd. Juárez, Chihuahua and currently a research professor
at Physics and Mathematics Department of Universidad Autónoma de Cd. Juárez. He is currently a member of Materials Research Society-USA and Sociedad Mexicana de Materiales. He has completed about 44 research JCR manuscripts in the literature. His research
topics comprehends usage of microscopy and microanalysis in combination with DFT computational methods for understanding of structure/function and electronic states of catalytic materials. In 2010 obtained a Doctoral degree in Material Science and Engineering
from University of Texas at El Paso, in 20006 a Master´s degree in Mechanical</span>
<span style="color:#1F497D">Engineering from Florida A&M-Florida State University and in 2003 a Bachelor in Science-Physics from UT-El Paso. He is currently a review contributor for Catalysis Today, Catalysis Science and Technology, ACS-Catalysis and FUEL.
Member of Sistema Nacional de Investigadores from CONACyT-México and independent research consultant in USA. And has served as special issue guest editor for Journal of Materials Research, Catalysis Today and MRS-Advances.
</span></p>
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<span style="color:#1F497D">Contact Prof. Robles Hernandez at <a href="mailto:fcrobles@Central.UH.EDU">
fcrobles@Central.UH.EDU</a> if you would like to meet with Prof.</span> <span style="color:#1F497D">
Ramos. </span></p>
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