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Electrochemical water electrolysis, which produces clean energy carriers to mitigate carbon emissions, lacks suitable, low-cost electrodes for efficient oxygen evolution reaction (OER) in alkaline water splitting. To address this challenge,…

The design of better heterogeneous catalysts for applications such as fuel cells and electrolyzers requires a mechanistic understanding of electrocatalytic reactions and the dependence of their activity on operating conditions such as pH. A…

Chemical Physics · Physics 2016-06-16 Kathleen Schwarz , Bingjun Xu , Yushan Yan , Ravishankar Sundararaman

Electrochemical CO2 reduction offers a method to use renewable electricity to convert CO2 into CO and other carbon-based chemical building blocks. While nearly all studies rely on a CO2 feed, we show herein that aqueous bicarbonate…

In the present work, the application of the method of underwater arc discharge of graphite electrodes for obtaining several carbon nanostructures is described. The analysis of the obtained products by Transmission Electron Microscopy (TEM),…

The article presents results of experimental investigations of the water softener in a laboratory installation of uninterruptible countercurrent ion exchange filter, which has a movable layer of ion exchange material. The installation…

Chemical Physics · Physics 2014-01-31 V. A. Kostygin , G. S. Stolyarenko , G. M. Kochetov , A. M. Tugay , V. N. Vashchenko

The effects of water wetting conditions on the transport properties of molecular nano-junctions are investigated theoretically by using a combination of classical molecular dynamics and first principles electronic transport calculations.…

Mesoscale and Nanoscale Physics · Physics 2015-05-18 I. Rungger , X. Chen , U. Schwingenschlögl , S. Sanvito

We employ molecular dynamics simulations to investigate ion and water transport driven by an electric field through quasi-two-dimensional nanoslits with a tapered geometry. Despite the absence of surface charge on the channel walls and the…

Soft Condensed Matter · Physics 2025-09-29 Tim Veenstra , Gerardo Campos-Villalobos , Giuliana Giunta , René van Roij , Marjolein Dijkstra

In this paper, we investigate the physical mechanisms underlying one of the most efficient filtration devices: the kidney. Building on a minimal model of the Henle loop - the central part of the kidney filtration - we investigate…

Soft Condensed Matter · Physics 2016-09-02 Sophie Marbach , Lydéric Bocquet

Metal oxide nanocrystals are emerging as extremely versatile material for addressing many of the current challenging demands of energy-conversion technology. Being able to exploit their full potential is not only an advantage but also a…

Chemical Physics · Physics 2021-09-02 Michele Ghini , Andrea Rubino , Andrea Camellini , Ilka Kriegel

Several harmful or valuable ionic species present in sea, brackish and wastewaters are amphoteric, and thus their properties depend on the local water pH. Effective removal of these species can be challenging by conventional membrane…

Core-excitation of water ice releases many different molecules and ions in the gas phase. Studying these desorbed species and the underlying mechanisms can provide useful information on the effects of X-ray irradiation in ice. We report a…

Chemical Physics · Physics 2020-10-20 R. Dupuy , G. Féraud , M Bertin , C. Romanzin , L. Philippe , T. Putaud , X. Michaut , R. Cimino , V. Baglin , J. -H. Fillion

Desalination that produces clean freshwater from seawater holds the promise to solve the global water shortage for drinking, agriculture and industry. However, conventional desalination technologies such as reverse osmosis and thermal…

Materials Science · Physics 2013-12-03 Minmin Xue , Hu Qiu , Wanlin Guo

The dissolution of NaCl in water is one of the most common everyday processes, yet it remains poorly understood at the molecular level. Here we report the results of an extensive density functional theory study in which the initial stages…

Chemical Physics · Physics 2013-12-18 Jiří Klimeš , David R. Bowler , Angelos Michaelides

Nanoporous carbon composite membranes, comprising a layer of porous carbon fiber structures with an average channel width of 30-60 nm grown on a porous ceramic substrate, are found to exhibit robust desalination effect with high freshwater…

Materials Science · Physics 2016-04-27 Wei Chen , Shuyu Chen , Qiang Zhang , Zhongli Fan , Kuo-Wei Huang , Xixiang Zhang , Zhiping Lai , Ping Sheng

Water electrolysis is promising for industrial hydrogen production to achieve a sustainable and green hydrogen economy, but the high cost of the technology limits its market share. Developing efficient yet economic electrocatalysts is…

Time resolved transient absorption spectroscopy has been used to determine quantum yields for electron photodetachment in 193 nm and (where possible) 248 nm laser excitation of miscellaneous aqueous anions, including hexacyanoferrate(II),…

Chemical Physics · Physics 2016-09-28 Myran C. Sauer , R. A. Crowell , Ilya A. Shkrob

Fabricating electrochemical energy storage devices demands significant energy for drying cell components to ensure optimal performance. The development of new, water-tolerant materials would represent a tremendous advance in cost savings…

Electron energy loss spectra have been measured on hexagonal boron nitride single crystals employing a novel electron energy loss spectroscopic set-up composed by an electron microscope equipped with a monochromator and an in-column filter.…

Accurate calculations of electrostatic potentials and treatment of substrate polarizability are critical for predicting the permeation of ions inside water-filled nanopores. The {\it ab initio} molecular dynamics method (AIMD), based on…

Materials Science · Physics 2007-11-05 Kevin Leung , Martijn Marsman

The surface charge of a water interface determines many fundamental processes in physical chemistry and interface science, and it has been intensively studied for over a hundred years. We summarize experimental methods to characterize the…

Chemical Physics · Physics 2021-09-23 Yuki Uematsu