Revisiting the nature of chemical bonding in chalcogenides to explain and design their properties
Quantum chemical bonding descriptors have recently been utilized to design materials with
tailored properties. Their usage to facilitate a quantitative description of bonding in …
tailored properties. Their usage to facilitate a quantitative description of bonding in …
2D group IVB transition metal dichalcogenides
C Yan, C Gong, P Wangyang, J Chu… - Advanced Functional …, 2018 - Wiley Online Library
Semiconductor technology is currently impaired by the surface dangling bond of materials,
which introduces scattering and interface traps. 2D materials, especially transition metal …
which introduces scattering and interface traps. 2D materials, especially transition metal …
Van der Waals phase transition investigation toward high-voltage layered cathodes
High-voltage phase transition constitutes the major barrier to accessing high energy density
in layered cathodes. However, questions remain regarding the origin of phase transition …
in layered cathodes. However, questions remain regarding the origin of phase transition …
Single-atom cobalt array bound to distorted 1T MoS2 with ensemble effect for hydrogen evolution catalysis
The grand challenge in the development of atomically dispersed metallic catalysts is their
low metal-atom loading density, uncontrollable localization and ambiguous interactions with …
low metal-atom loading density, uncontrollable localization and ambiguous interactions with …
Accurate crystal structures and chemical properties from NoSpherA2
The relationship between the structure and the properties of a drug or material is a key
concept of chemistry. Knowledge of the three-dimensional structure is considered to be of …
concept of chemistry. Knowledge of the three-dimensional structure is considered to be of …
Rational design and characterization of direct Z-scheme photocatalyst for overall water splitting from excited state dynamics simulations
Direct Z-scheme heterostructure photocatalysts possess tremendous potential to solar-
driven overall water splitting, but how to rationally design and comprehensively characterize …
driven overall water splitting, but how to rationally design and comprehensively characterize …
Strongly Coupled Cobalt Diselenide Monolayers for Selective Electrocatalytic Oxygen Reduction to H2O2 under Acidic Conditions
Electrosynthesis of hydrogen peroxide (H2O2) in the acidic environment could largely
prevent its decomposition to water, but efficient catalysts that constitute entirely earth …
prevent its decomposition to water, but efficient catalysts that constitute entirely earth …
Charge density evolution governing interfacial friction
It is well-known that the electron nature of a solid in contact plays a predominant role in
determining the many properties of the contact systems, but the general rules of electron …
determining the many properties of the contact systems, but the general rules of electron …
Interfacial charge density and its connection to adhesion and frictional forces
We derive a connection between the intrinsic tribological properties and the electronic
properties of a solid interface. In particular, we show that the adhesion and frictional forces …
properties of a solid interface. In particular, we show that the adhesion and frictional forces …
Chemical bonding origin of the unexpected isotropic physical properties in thermoelectric Mg3Sb2 and related materials
J Zhang, L Song, M Sist, K Tolborg… - Nature …, 2018 - nature.com
Abstract The Mg3Sb2 structure is currently being intensely scrutinized due to its outstanding
thermoelectric properties. Usually, it is described as a layered Zintl phase with a clear …
thermoelectric properties. Usually, it is described as a layered Zintl phase with a clear …