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

Autor(es):Mostrar menos -

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]

Afiliação do(s) autor(es)

^[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

• Tipo de documento: Artigo Científico
• Fonte: ACS APPLIED MATERIALS & INTERFACES; v. 12, n. 11, p. 12629-12638, MAR 18 2020.
• Citações Web of Science: 15

Resumo

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)

• Processo FAPESP: 13/08293-7 - CECC - Centro de Engenharia e Ciências Computacionais
• Beneficiário: Munir Salomao Skaf
• Modalidade de apoio: Auxílio à Pesquisa - Centros de Pesquisa, Inovação e Difusão - CEPIDs
• Processo FAPESP: 16/18499-0 - Investigação de propriedades estruturais, mecânicas e funcionais de nanoestruturas de carbono
• Beneficiário: Eliezer Fernando de Oliveira
• Modalidade de apoio: Bolsas no Brasil - Pós-Doutorado
• Processo FAPESP: 19/07157-9 - Projetando novas estruturas 3d a partir de modelos de zeólitas para aplicações em impressão 3d
• Beneficiário: Eliezer Fernando de Oliveira
• Modalidade de apoio: Bolsas no Exterior - Estágio de Pesquisa - Pós-Doutorado