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Ubiquitous graphene is a stricly 2D material representing an ideal adsorbing platform due to its large specific surface area as well as its mechanical strength and resistance to both thermal and chemical stresses. However, graphene as a…

Materials Science · Physics 2016-10-06 Massimiliano Bartolomei , Giacomo Giorgi

Understanding how water interacts with graphene at the molecular level is essential for advancing nanomaterial applications in filtration, catalysis, and environmental technologies. This study establishes a quantitative baseline for…

Materials Science · Physics 2026-02-11 Aline Oliveira Santos , Bruno H. S. Mendonça , Elizane E. de Moraes

The design and production of novel 2-dimensional materials has seen great progress in the last decade, prompting further exploration of the chemistry of such materials. Doping and hydrogenating graphene is an experimentally realised method…

Chemical Physics · Physics 2017-11-22 Yasmine S. Al-Hamdani , Angelos Michaelides , O. Anatole von Lilienfeld

Ion channels play a key role in regulating cell behavior and in electrical signaling. In these settings, polar and charged functional groups -- as well as protein response -- compensate for dehydration in an ion-dependent way, giving rise…

Mesoscale and Nanoscale Physics · Physics 2017-08-22 Subin Sahu , Massimiliano Di Ventra , Michael Zwolak

Graphene nanochannels are relevant for their possible applications, as in water purification, and for the challenge of understanding how they change the properties of confined liquids. Here, we use all-atom molecular dynamics simulations to…

Soft Condensed Matter · Physics 2021-03-25 Carles Calero , Giancarlo Franzese

Due to its ultrahigh electron transmissivity in a wide electron energy range, molecular impermeability, high electrical conductivity and excellent mechanical stiffness the suspended graphene membranes appear to be a nearly ideal window…

Materials Science · Physics 2015-06-11 Joshua D. Stoll , Andrei Kolmakov

We demonstrate, on the basis of molecular dynamics simulations, the possibility of an efficient water-ethanol separation using nanoporous carbon membranes, namely carbon nanotube membranes, nanoporous graphene sheets, and multilayer…

Soft Condensed Matter · Physics 2016-09-28 Simon Gravelle , Hiroaki Yoshida , Laurent Joly , Christophe Ybert , Lydéric Bocquet

Osmotic energy (or salinity-gradient energy) is the energy released when water with different salinities is mixed, such as rivers and oceans. By employing a semipermeable membrane to control the mixing process, the osmotic pressure gradient…

Materials Science · Physics 2021-12-07 Arvin Shadravan , Mahmood Amani , Peisean Goh , Ahmad Fauzi Ismail

Exploring novel materials with enhanced optical nonlinearities at low power levels with ultrafast response and small footprints is of great interests for information processing, communication, sensing and quantum systems. Recent progress on…

Optics · Physics 2023-05-23 Md Zubair Ebne Rafique , Ali Basiri , Jing Bai , Jiawei Zuo , Yu Yao

Water dissociation is of fundamental importance in scientific fields and has drawn considerable interest in diverse technological applications. However, the high activation barrier of breaking the O-H bond within the water molecule has been…

Materials Science · Physics 2023-03-15 Zhijing Huang , Zihan Yan , Guangdong Zhu , Xing Chen , Shuming Zeng , Xiuyun Zhang , Liang Zhao , Yusong Tu

Graphene - a monolayer of carbon atoms densely packed into a hexagonal lattice - has one of the strongest possible atomic bonds and can be viewed as a robust atomic-scale scaffold, to which other chemical species can be attached without…

Graphene stands as a promising material with vast potential across energy storage, electronics, etc. Here, we present a novel mechanical approach utilizing ultrasonic high-energy intercalation exfoliation to extract monolayer graphene from…

Materials Science · Physics 2025-01-15 Kaitong Sun , Si Wu , Junchao Xia , Yinghao Zhu , Guanping Xu , Hai-Feng Li

Graphdiyne is a novel two-dimensional material deriving from graphene that has been recently synthesized and featuring uniformly distributed sub-nanometer pores. We report accurate calculations showing that graphdiyne pores permit an almost…

Interlayer space in graphite is impermeable to ions and molecules, including protons. Its controlled expansion would find several applications in desalination, gas purification, high-density batteries, etc. In the past, metal intercalation…

Mesoscale and Nanoscale Physics · Physics 2022-01-26 Lalita Saini , Siva Sankar Nemala , Aparna Rathi , Suvigya Kaushik , Gopinadhan Kalon

Because of the dominant role of the surface of molecules and their individuality, molecules behave dis-tinctively in a confined space, which has far-reaching implications in many physical, chemical and bio-logical systems. Here, we…

Mesoscale and Nanoscale Physics · Physics 2014-04-29 DaeEung Lee , Gwanghyun Ahn , Sunmin Ryu

The reverse osmosis membrane module is an integral element of a desalination system as it determines the overall performance of the desalination plant. The fraction of clean water that can be recovered via this process is often limited by…

Numerical Analysis · Mathematics 2023-01-31 Nicodemo Di Pasquale , Mayo Akele , Federico Municchi , John King , Matteo Icardi

Fluidic channels with physical dimensions approaching molecular sizes are crucial for novel desalination, chemical separation, and sensing technologies. However, fabrication of precisely controlled fluidic channels in the angstrom size is…

Mesoscale and Nanoscale Physics · Physics 2023-05-16 Rathi Aparna , Singh Khushwant , Saini Lalita , Kaushik Suvigya , Dhal Biswabhusan , Parmar Shivam , Kalon Gopinadhan

Pristine graphene is not suitable for hydrogen storage at ambient conditions since it binds the hydrogen molecules only by van der Waals interactions. However, the adsorption energy of the hydrogen molecules can be improved by doping or…

Materials Science · Physics 2022-10-24 Vikram Mahamiya , Alok Shukla , Nandini Garg , Brahmananda Chakraborty

Reverse osmosis (RO) and electrodialysis (ED) are the two most important membrane technologies for water desalination and treatment. Their modes of operation and transport mechanisms are very different, but on a closer look also have many…

Chemical Physics · Physics 2025-07-08 P. M. Biesheuvel , S. Porada , L. Wang , R. Wang , M. Elimelech , J. E. Dykstra

Water transport through graphene-derived membranes has gained much interest recently due to its promising potential in filtration and separation applications. In this work, we explore water permeation in graphene oxide membranes using…

Mesoscale and Nanoscale Physics · Physics 2014-06-05 Ning Wei , Xinsheng Peng , Zhiping Xu