Recent advances in activating surface reconstruction for the high-efficiency oxygen evolution reaction
A climax in the development of cost-effective and high-efficiency transition metal-based
electrocatalysts has been witnessed recently for sustainable energy and related conversion …
electrocatalysts has been witnessed recently for sustainable energy and related conversion …
Graph neural networks for materials science and chemistry
Abstract Machine learning plays an increasingly important role in many areas of chemistry
and materials science, being used to predict materials properties, accelerate simulations …
and materials science, being used to predict materials properties, accelerate simulations …
First-row transition metal-based materials derived from bimetallic metal–organic frameworks as highly efficient electrocatalysts for electrochemical water splitting
Electrochemical water splitting is a mature technology for hydrogen generation. Numerous
studies have focused on the development of highly efficient electrocatalysts to produce …
studies have focused on the development of highly efficient electrocatalysts to produce …
Continuous Modulation of Electrocatalytic Oxygen Reduction Activities of Single‐Atom Catalysts through p‐n Junction Rectification
Fine‐tuning single‐atom catalysts (SACs) to surpass their activity limit remains challenging
at their atomic scale. Herein, we exploit p‐type semiconducting character of SACs having a …
at their atomic scale. Herein, we exploit p‐type semiconducting character of SACs having a …
A review of transition metal boride, carbide, pnictide, and chalcogenide water oxidation electrocatalysts
Transition metal borides, carbides, pnictides, and chalcogenides (X-ides) have emerged as
a class of materials for the oxygen evolution reaction (OER). Because of their high earth …
a class of materials for the oxygen evolution reaction (OER). Because of their high earth …
Two-dimensional materials from high-throughput computational exfoliation of experimentally known compounds
Abstract Two-dimensional (2D) materials have emerged as promising candidates for next-
generation electronic and optoelectronic applications. Yet, only a few dozen 2D materials …
generation electronic and optoelectronic applications. Yet, only a few dozen 2D materials …
P-type electrical contacts for 2D transition-metal dichalcogenides
Digital logic circuits are based on complementary pairs of n-and p-type field effect transistors
(FETs) via complementary metal oxide semiconductor technology. In three-dimensional (3D) …
(FETs) via complementary metal oxide semiconductor technology. In three-dimensional (3D) …
The Computational 2D Materials Database: high-throughput modeling and discovery of atomically thin crystals
We introduce the Computational 2D Materials Database (C2DB), which organises a variety
of structural, thermodynamic, elastic, electronic, magnetic, and optical properties of around …
of structural, thermodynamic, elastic, electronic, magnetic, and optical properties of around …
Recent progress of the computational 2D materials database (C2DB)
Abstract The Computational 2D Materials Database (C2DB) is a highly curated open
database organising a wealth of computed properties for more than 4000 atomically thin two …
database organising a wealth of computed properties for more than 4000 atomically thin two …
Insulators for 2D nanoelectronics: the gap to bridge
Nanoelectronic devices based on 2D materials are far from delivering their full theoretical
performance potential due to the lack of scalable insulators. Amorphous oxides that work …
performance potential due to the lack of scalable insulators. Amorphous oxides that work …