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 …
Orbital-free density functional theory: An attractive electronic structure method for large-scale first-principles simulations
Kohn–Sham Density Functional Theory (KSDFT) is the most widely used electronic structure
method in chemistry, physics, and materials science, with thousands of calculations cited …
method in chemistry, physics, and materials science, with thousands of calculations cited …
Suspension electrolyte with modified Li+ solvation environment for lithium metal batteries
Designing a stable solid–electrolyte interphase on a Li anode is imperative to developing
reliable Li metal batteries. Herein, we report a suspension electrolyte design that modifies …
reliable Li metal batteries. Herein, we report a suspension electrolyte design that modifies …
Aqueous alternating electrolysis prolongs electrode lifespans under harsh operation conditions
J Liang, J Li, H Dong, Z Li, X He, Y Wang, Y Yao… - Nature …, 2024 - nature.com
It is vital to explore effective ways for prolonging electrode lifespans under harsh electrolysis
conditions, such as high current densities, acid environment, and impure water source. Here …
conditions, such as high current densities, acid environment, and impure water source. Here …
Direct correlation between void formation and lithium dendrite growth in solid-state electrolytes with interlayers
Solid-state Li-ion batteries with lithium anodes offer higher energy densities and are safer
than conventional liquid electrolyte-based Li-ion batteries. However, the growth of lithium …
than conventional liquid electrolyte-based Li-ion batteries. However, the growth of lithium …
Revealing the Multifunctions of Li3N in the Suspension Electrolyte for Lithium Metal Batteries
Inorganic-rich solid-electrolyte interphases (SEIs) on Li metal anodes improve the
electrochemical performance of Li metal batteries (LMBs). Therefore, a fundamental …
electrochemical performance of Li metal batteries (LMBs). Therefore, a fundamental …
Dynamic electrochromism for all-season radiative thermoregulation
Radiative thermoregulation can reduce the energy consumption for heating, ventilation and
air-conditioning (HVAC) in buildings, and therefore contribute substantially to climate …
air-conditioning (HVAC) in buildings, and therefore contribute substantially to climate …
P-block single-metal-site tin/nitrogen-doped carbon fuel cell cathode catalyst for oxygen reduction reaction
This contribution reports the discovery and analysis of ap-block Sn-based catalyst for the
electroreduction of molecular oxygen in acidic conditions at fuel cell cathodes; the catalyst is …
electroreduction of molecular oxygen in acidic conditions at fuel cell cathodes; the catalyst is …
Understanding the complementarities of surface-enhanced infrared and Raman spectroscopies in CO adsorption and electrochemical reduction
In situ/operando surface enhanced infrared and Raman spectroscopies are widely
employed in electrocatalysis research to extract mechanistic information and establish …
employed in electrocatalysis research to extract mechanistic information and establish …
From DFT to machine learning: recent approaches to materials science–a review
Recent advances in experimental and computational methods are increasing the quantity
and complexity of generated data. This massive amount of raw data needs to be stored and …
and complexity of generated data. This massive amount of raw data needs to be stored and …