Single‐atom catalysts for hydrogen generation: rational design, recent advances, and perspectives

C Zhang, H Wang, H Yu, K Yi, W Zhang… - Advanced Energy …, 2022 - Wiley Online Library
Hydrogen is widely believed to be a promising fuel to solve the global energy crisis and
environmental issues. The catalytic system represented by metal‐supported catalysts is an …

MoS2@ X2C (X= Mo or W) hybrids for enhanced supercapacitor and hydrogen evolution performances

S Hussain, I Rabani, D Vikraman, A Feroze… - Chemical Engineering …, 2021 - Elsevier
Engineering the active sites is a promising approach to boost electrode enactment for
various electrochemical applications. Herein, highly conductive Mo 2 C and W 2 C were …

Ordered Mesoporous Metastable α‐MoC1−x with Enhanced Water Dissociation Capability for Boosting Alkaline Hydrogen Evolution Activity

DS Baek, GY Jung, B Seo, JC Kim… - Advanced Functional …, 2019 - Wiley Online Library
The sluggish reaction kinetics of the alkaline hydrogen evolution reaction (HER) remains an
important challenge for water–alkali electrolyzers, which originates predominantly from the …

Probing the Domain Architecture in 2D α‐Mo2C via Polarized Raman Spectroscopy

T Li, W Luo, H Kitadai, X Wang, X Ling - Advanced Materials, 2019 - Wiley Online Library
MXenes are emerging 2D materials with intriguing properties such as excellent stability and
high conductivity. Here, a systematic study on the Raman spectra of 2D α‐Mo2C …

First-Principles Investigation of the Formation of Pt Nanorafts on a Mo2C Support and Their Catalytic Activity for Oxygen Reduction Reaction

CB Krishnamurthy, O Lori, L Elbaz… - The Journal of Physical …, 2018 - ACS Publications
We use first-principles calculations to study the formation of Pt nanorafts and their oxygen
reduction reaction (ORR) catalytic activity on Mo2C. Due to the high Pt binding energy on C …

Computation-predicted, stable, and inexpensive single-atom nanocatalyst Pt@ Mo 2 C–an important advanced material for H 2 production

Q Li, Z Ma, R Sa, H Adidharma, KAM Gasem… - Journal of Materials …, 2017 - pubs.rsc.org
The finding that transition metals on Mo2C-supported nanocatalysts are promising for water-
gas shift (WGS) reactions at room temperature has generated much excitement. However …

Early Oxidation Processes on the Greigite Fe3S4(001) Surface by Water: A Density Functional Theory Study

D Santos-Carballal, A Roldan… - The Journal of Physical …, 2016 - ACS Publications
Greigite (Fe3S4), the sulfide counterpart of the spinel-structured oxide material magnetite
(Fe3O4), is a mineral widely identified in anoxic aquatic environments and certain soils …

Assessing the role of surface carbon on the surface stability and reactivity of β-Mo2C catalysts

SA Tacey, M Jankousky, CA Farberow - Applied Surface Science, 2022 - Elsevier
Transition-metal carbides, eg, Mo 2 C, promote industrially important catalytic reactions with
activities comparable to precious-metal catalysts. Yet, the nature of the catalytically active …

Periodic density functional theory study of maghemite (001) surface. Structure and electronic properties

YL Bentarcurt, M Calatayud, J Klapp, F Ruette - Surface Science, 2018 - Elsevier
The structure of the iron oxide γ-Fe 2 O 3 surfaces along (001) direction has been modeled
for the first time using periodic DFT. Four different types of surfaces were analyzed …

2D non-van der Waals transition metal carbides and nitrides: from synthesis to electronic application

T Li - 2022 - search.proquest.com
Abstract Two-dimensional (2D) non-van der Waals (vdW) transition metal carbides and
nitrides (TMCs and TMNs) have emerged as new members of the 2D materials family with …