Protein assembly by design

J Zhu, N Avakyan, A Kakkis, AM Hoffnagle… - Chemical …, 2021 - ACS Publications
Proteins are nature's primary building blocks for the construction of sophisticated molecular
machines and dynamic materials, ranging from protein complexes such as photosystem II …

Oxide–and silicate–water interfaces and their roles in technology and the environment

JL Bañuelos, E Borguet, GE Brown Jr… - Chemical …, 2023 - ACS Publications
Interfacial reactions drive all elemental cycling on Earth and play pivotal roles in human
activities such as agriculture, water purification, energy production and storage …

Advances in clayff molecular simulation of layered and nanoporous materials and their aqueous interfaces

RT Cygan, JA Greathouse… - The Journal of Physical …, 2021 - ACS Publications
As a general-purpose force field for molecular simulations of layered materials and their fluid
interfaces, Clayff continues to see broad usage in atomistic computational modeling for …

Nanoparticle assembly and oriented attachment: correlating controlling factors to the resulting structures

D Li, Q Chen, J Chun, K Fichthorn, J De Yoreo… - Chemical …, 2023 - ACS Publications
Nanoparticle assembly and attachment are common pathways of crystal growth by which
particles organize into larger scale materials with hierarchical structure and long-range …

Molecular-level understanding of metal ion retention in clay-rich materials

X Liu, C Tournassat, S Grangeon… - Nature Reviews Earth & …, 2022 - nature.com
Clay minerals retain or adsorb metal ions in the Earth's critical zone. Rocks, sediments and
soils rich in clay minerals can concentrate rare earth elements (REEs) in ion adsorption-type …

Structure of the electrical double layer revisited: Electrode capacitance in aqueous solutions

M Khademi, DPJ Barz - Langmuir, 2020 - ACS Publications
The structure of the electrical double layer at the interface of planar electrodes and aqueous
solutions is investigated. Electrical impedance spectroscopy is used to measure the …

Correlation between electrostatic and hydration forces on silica and gibbsite surfaces: An atomic force microscopy study

A Klaassen, F Liu, F Mugele, I Siretanu - Langmuir, 2022 - ACS Publications
The balance between hydration and Derjaguin–Landau–Verwey–Overbeek (DLVO) forces
at solid–liquid interfaces controls many processes, such as colloidal stability, wetting …

Predicting Outcomes of Nanoparticle Attachment by Connecting Atomistic, Interfacial, Particle, and Aggregate Scales

L Liu, BA Legg, W Smith, LM Anovitz, X Zhang… - ACS …, 2023 - ACS Publications
Predicting nanoparticle aggregation and attachment phenomena requires a rigorous
understanding of the interplay among crystal structure, particle morphology, surface …

Ion correlations drive charge overscreening and heterogeneous nucleation at solid–aqueous electrolyte interfaces

SS Lee, A Koishi, IC Bourg… - Proceedings of the …, 2021 - National Acad Sciences
Classical electrical double layer (EDL) models are foundational to the representation of
atomistic structure and reactivity at charged interfaces. An important limitation to these …

Large-scale molecular dynamics simulation of the dehydration of a suspension of smectite clay nanoparticles

TR Underwood, IC Bourg - The Journal of Physical Chemistry C, 2020 - ACS Publications
Fine-grained sediments and sedimentary rocks play important roles in a variety of modern
energy technologies from petroleum geology to geological carbon sequestration and …