MXenes are a new type of two-dimensional (2D) material which are rapidly gaining traction
for a range of environmental, chemical and medical applications. MXenes and MXene …

Suspension or semi-solid electrodes have recently gained increased attention for large-
scale applications such as grid energy storage, capacitive water deionization, and …

The reactive force-field (ReaxFF) interatomic potential is a powerful computational tool for
exploring, developing and optimizing material properties. Methods based on the principles …

Unsustainable and inefficient capacitive deionization (CDI) performance has been observed
through CDI operation with carbon xerogel (CX) electrodes for 50 hours using a constant …

In electrochemical water desalination, a large difference in pH can develop between feed
and effluent water. These pH changes can affect the long-term stability of membranes and …

Activated carbon is the most common electrode material used in electrosorption processes
such as water desalination with capacitive deionization (CDI). CDI is a cyclic process to …

Machine learning (ML) methods were applied to predict the capacitance of carbon-based
supercapacitors. Hundreds of published experimental datasets are collected for training ML …

New phase diagrams for water confined in graphene nanocapillaries and single-walled
carbon nanotubes (CNTs) are proposed, identifying ice structures, their melting points and …

In recent decades, quantum chemical calculations (QCC) have increased in accuracy, not
only providing the ranking of chemical reactivities and energy barriers (eg, for optimal …

Understanding electrical percolation and charging mechanisms in electrochemically active
biphasic flowable electrodes is critical for enabling scalable deionization (desalination) and …