Results 131 to 140 of about 6,422 (223)

Effect of Functional Group-Modified UiO-66 on the Dehydrogenation of Ammonia Borane

Molecules
Ammonia borane (AB) has attracted much attention in the field of solid-state hydrogen storage due to its high hydrogen storage capacity. Nanoconfinement in UiO-66 can reduce the hydrogen release temperature. In particular, terephthalic acid was used as a
Senliang Xi, Dawei Xu, Renzeng Chen, Wenhao Yao, Wenying Wu, Teng Zhang, Liang Yu   +6 more
doaj   +1 more source

Molecular rheology of nanoconfined oligomer melts

Journal of Rheology
We use nonequilibrium atomistic molecular dynamics simulations of unentangled melts of linear and star oligomer chains (C25H52) to study the steady-state viscoelastic response under confinement within nanoscale hematite (α−Fe2O3) channels. We report (i) the negative (positive) first (second) normal stress difference and (ii) the presence of ...
A. B. Yıldırım, A. Erbaş, L. Biancofiore   +2 more
openaire   +3 more sources

Learning a general model of single phase flow in complex 3D porous media

Machine Learning: Science and Technology
Modeling effective transport properties of 3D porous media, such as permeability, at multiple scales is challenging as a result of the combined complexity of the pore structures and fluid physics—in particular, confinement effects which vary across the ...
Javier E Santos, Agnese Marcato, Qinjun Kang, Mohamed Mehana, Daniel O’Malley, Hari Viswanathan, Nicholas Lubbers   +6 more
doaj   +1 more source

2D Graphene Oxide Membrane Nanoreactors for Rapid Directional Flow Ring‐Opening Reactions with Dominant Same‐Configuration Products

Advanced Science
Nanoconfinement within enzymes can increase reaction rate and improve selectivity under mild conditions. However, it remains a great challenge to achieve chemical reactions imitating enzymes with directional molecular motion, short reaction time, ≈100 ...
Jiangwei Fu, Shuai Pang, Yuhui Zhang, Xiang Li, Bo Song, Daoling Peng, Xiqi Zhang, Lei Jiang   +7 more
doaj   +1 more source

Nitrogen‐doped microporous graphite‐enhanced copper plasmonic effect for solar evaporation

Carbon Energy
Water scarcity is a global challenge, and solar evaporation technology offers a promising and eco‐friendly solution for freshwater production. Photothermal conversion materials (PCMs) are crucial for solar evaporation.
Xintao Wu, Chengcheng Li, Ziqi Zhang, Yang Cao, Jieqiong Wang, Xinlong Tian, Zhongxin Liu, Yijun Shen, Mingxin Zhang, Wei Huang   +9 more
doaj   +1 more source

Nanoconfinement Effects in Catalysis

, 2016
In this investigation, the unique properties that stem from the constrained environment and enforced proximity of functional groups at the active site were demonstrated for a number of systems. The first system is a nanocage structure with silicon-based, atom-thick shells and molecular-size cavities.
openaire   +2 more sources

Prebiotic Chemistry in Nanoconfinement

, 2016
Water presents extremely different properties depending not only on conditions like temperature and pressure but also on the local environment (bulk vs. interfacial water), which in turn profoundly affects chemical reactions in solution. Here, we present the results of extensive ab initio molecular dynamics and metadynamics simulations in which we ...
Munoz-Santiburcio, D., Marx, D.
openaire   +1 more source

Water self-dissociation in slit pores displays non-monotonic behavior as a function of water filling. [PDF]

Chem Sci
Ruiz-Barragan S, Muñoz-Santiburcio D, Körning S, Marx D.   +3 more
europepmc   +1 more source

Designing nanoconfined entanglements in hydrogels: Mechanisms, mechanical performance, and self-healing strategies. [PDF]

Bioimpacts
Nezhad-Mokhtari P.
europepmc   +1 more source

Molecular Interactions within Nanoconfinement of Model DNA Nanostructures Controlled by Compensatory Kinetics as Revealed by Single-Molecule Fluorescence Analysis. [PDF]

JACS Au
Hagleitner-Ertuğrul N, Xing Y, Pfeffermann J, Rottensteiner A, Gaugutz A, Knyazev DG, Pohl P, Howorka S.   +7 more
europepmc   +1 more source