Graphene Supported MoS2 Structures with High Defect Density for an Efficient HER Electrocatalysts

Author(s):Show less -

Joyner, Jarin ^{[1, 2, 3]} ; Oliveira, Eliezer F. ^{[2, 4, 5]} ; Yamaguchi, Hisato ^[3] ; Kato, Keiko ^[2] ; Vinod, Soumya ^[2] ; Galvao, Douglas S. ^{[4, 5]} ; Salpekar, Devashish ^[2] ; Roy, Soumyabrata ^[2] ; Martinez, Ulises ^[3] ; Tiwary, Chandra S. ^{[2, 6]} ; Ozden, Sehmus ^{[3, 7, 8]} ; Ajayan, Pulickel M. ^[2]

Affiliation

^[1] Rice Univ, Dept Chem, Houston, TX 77005 - USA

^[2] Rice Univ, Dept Mat Sci & NanoEngn, Houston, TX 77005 - USA

^[3] Los Alamos Natl Lab, Mat Phys & Applicat Div, Los Alamos, NM 87545 - USA

^[4] State Univ Campinas UNICAMP, Appl Phys Dept, BR-13083970 Campinas, SP - Brazil

^[5] State Univ Campinas UNICAMP, CCES, BR-13083970 Campinas, SP - Brazil

^[6] Indian Inst Technol Kharagpur, Met & Mat Engn, Kharagpur 382355, W Bengal - India

^[7] Princeton Univ, Princeton Inst Sci & Technol Mat Chem & Biol Engn, Princeton Ctr Complex Mat, Princeton, NJ 08540 - USA

^[8] Princeton Univ, Dept Mech & Aerosp Engn, Princeton, NJ 08540 - USA

• Document type: Journal article
• Source: ACS APPLIED MATERIALS & INTERFACES; v. 12, n. 11, p. 12629-12638, MAR 18 2020.
• Web of Science Citations: 15

Abstract

The development of novel efficient and robust electrocatalysts with sufficient active sites is one of the key parameters for hydrogen evolution reactions (HER) catalysis, which plays a key role in hydrogen production for clean energy harvesting. Recently, two-dimensional (2D) materials, especially those based upon transition metal dichalcogenides such as molybdenum disulfide (MoS2), have gained attention for the catalysis of hydrogen production because of their exceptional properties. Innovative strategies have been developed to engineer these material systems for improvements in their catalytic activity. Toward this aim, the facile growth of MoS2 clusters by sulfurization of molybdenum dioxide (MoO2) particles supported on reduced graphene oxide (rGO) foams using the chemical vapor deposition (CVD) method is reported. This approach created various morphologies of MoS2 with large edges and defect densities on the basal plane of rGO supported MoS2 structures, which are considered as active sites for HER catalysis. In addition, MoS2 nanostructures on the surface of the porous rGO network show robust physical interactions, such as van der Waals and pi-pi interactions between MoS 2 and rGO. These features result in an improved process to yield a suitable HER catalyst. In order to gain a better understanding of the improvement of this MoS2-based HER catalyst, fully atomistic molecular dynamics (MD) simulations of different defect geometries were also performed. (AU)

• FAPESP's process: 13/08293-7 - CCES - Center for Computational Engineering and Sciences
• Grantee: Munir Salomao Skaf
• Support Opportunities: Research Grants - Research, Innovation and Dissemination Centers - RIDC
• FAPESP's process: 16/18499-0 - Investigation on the structural, mechanical and functional properties of carbon-based nanostructures
• Grantee: Eliezer Fernando de Oliveira
• Support Opportunities: Scholarships in Brazil - Post-Doctoral
• FAPESP's process: 19/07157-9 - DESIGNING NEW 3D STRUCTURES FROM ZEOLITE TEMPLATES FOR 3D PRINTING APPLICATIONS
• Grantee: Eliezer Fernando de Oliveira
• Support Opportunities: Scholarships abroad - Research Internship - Post-doctor