Carbon–based transition metal sulfides/selenides nanostructures for electrocatalytic water splitting

YN Zhou, YR Zhu, XY Chen, B Dong, QZ Li… - Journal of Alloys and …, 2021 - Elsevier
Transition metal sulfides/selenides are promising choice for electrocatalytic water splitting.
However, the relatively low conductivity and utilization of active sites severely hinder its …

Recent Progress in Computational Design of Single-Atom/Cluster Catalysts for Electrochemical and Solar-Driven N2 Fixation

S Ghoshal, A Ghosh, P Roy, B Ball, A Pramanik… - ACS …, 2022 - ACS Publications
Fixation of dinitrogen into ammonia is an essential biological process for the evolution of life,
and at the same time ammonia is an essential component for many industrial processes …

Identifying metallic transition-metal dichalcogenides for hydrogen evolution through multilevel high-throughput calculations and machine learning

N Ran, B Sun, W Qiu, E Song, T Chen… - The Journal of Physical …, 2021 - ACS Publications
High-performance electrocatalysts not only exhibit high catalytic activity but also have
sufficient thermodynamic stability and electronic conductivity. Although metallic 1T-phase …

Activation of metal-free porous basal plane of biphenylene through defects engineering for hydrogen evolution reaction

MR Sahoo, A Ray, R Ahuja, N Singh - International Journal of Hydrogen …, 2023 - Elsevier
The biggest challenge in the commercial application of electrochemical reduction of water
through the hydrogen evolution reaction (HER) is hampered due to the scarcity of …

Catalytic activity for hydrogen evolution reaction of Janus monolayer MoXTe (X= S, Se)

G Liu, J Peng, B Jia, J Hao, Z Zhao, X Ma… - International Journal of …, 2023 - Elsevier
At present, the precious metal Pt is a common catalyst for large-scale hydrogen evolution
reaction (HER) production of hydrogen, but due to its high price and scarcity, finding an …

MX anti-MXenes from non-van der waals bulks for electrochemical applications: the merit of metallicity and active basal plane

J Gu, Z Zhao, J Huang, BG Sumpter, Z Chen - ACS nano, 2021 - ACS Publications
Two-dimensional transition-metal compounds (2DTMCs) are promising materials for
electrochemical applications, but 2DTMCs with metallicity and active basal planes are rare …

Structure, stability, and superconductivity of two-dimensional Janus NbSH monolayers: a first-principle investigation

Y Li, C Pu, D Zhou - Molecules, 2023 - mdpi.com
Two-dimensional Janus materials have unique structural characteristics due to their lack of
out-of-plane mirror symmetry, resulting in many excellent physical and chemical properties …

Asymmetric surfaces endow Janus bismuth oxyhalides with enhanced electronic and catalytic properties for the hydrogen evolution reaction

H Pan, L Feng, P Liu, X Zheng, X Zhang - Journal of Colloid and Interface …, 2022 - Elsevier
The electronic and catalytic properties of Janus bismuth oxyhalide (Bi 2 O 2 XY, where X/Y=
Cl, Br, or I, and X≠ Y) for the hydrogen evolution reaction (HER) are evaluated through first …

Triggering catalytic active sites for hydrogen evolution reaction by intrinsic defects in Janus monolayer MoSSe

W Shi, G Li, Z Wang - The Journal of Physical Chemistry C, 2019 - ACS Publications
Janus transition-metal dichalcogenides have been predicted to be promising candidates for
hydrogen evolution reaction (HER) due to their inherent structural asymmetry. However, the …

Tunable photocatalytic water splitting performance of armchair MoSSe nanotubes realized by polarization engineering

J Zhang, X Tang, M Chen, D Ma, L Ju - Inorganic Chemistry, 2022 - ACS Publications
The photocatalytic properties of Janus transition metal dichalcogenide (TMD) nanotubes are
closely correlated with the electrostatic potential difference between their inner and outer …