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Related papers: Multiphase hydrogen storage in nanocontainers

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Metal hydrogen exhibiting electron delocalization properties has been recognized as an important prospect for achieving controlled nuclear fusion, but the extreme pressure conditions required exceeding hundreds of GPa remain a daunting…

Computational Physics · Physics 2025-06-05 Jia Fan , Chenxi Wan , Rui Liu , Zhen Gong , Hongbo Jing , Baiqiang Liu , Siyang Liu , Zhigang Wang

The use of a novel three-dimensional graphene structure allows circumventing the limitations of the two-dimensional nature of graphene and its application in hydrogen absorption. Here we investigate hydrogen-bonding on monolayer graphene…

Helium is recognized as a model system for the study of phase transitions. Of particular interest is the superfluid phase in two dimensions. We report measurements on superfluid helium films adsorbed on the surface of a suspended carbon…

The storage of hydrogen (H$_2$) is of economic and ecological relevance, because it could potentially replace petroleum-based fuels. However, H$_2$ storage at mild condition remains one of the bottlenecks for its widespread usage. In order…

Materials Science · Physics 2019-12-24 Srimanta Pakhira , Jose L. Mendoza-Cortes

Towards the development of a useful mechanism for hydrogen storage, we have studied the hydrogenation of single-walled carbon nanotubes with atomic hydrogen using core-level photoelectron spectroscopy and x-ray absorption spectroscopy. We…

The insulator-metal transition in hydrogen is one of the most outstanding problems in condensed matter physics. The high-pressure metallic phase is now predicted to be liquid atomic from T=0 K to very high temperatures. We have conducted…

Materials Science · Physics 2016-04-20 Mohamed Zaghoo , Ashkan Salamat , Isaac F. Silvera

The graphane with chemically bonded alkali metals (Li, Na, K) was considered as potential material for hydrogen storage. The ab initio calculations show that such material can adsorb as many as 4 hydrogen molecules per Li, Na and K metal…

Here, we present a systematic first-principles study of hydrogen adsorption on pristine and Janus MX2 and MSSe monolayers (M = Ni, Pd, Pt; X = S, Se), combining density-functional theory (DFT) calculations with finite-temperature ab initio…

Materials Science · Physics 2026-01-05 Flavio Bento de Oliveira , Gabriel Elyas Gama Araujo , Andreia Luisa da Rosa

Carbons are being widely investigated as hydrogen storage material owing to their light weight, fast hydrogen adsorption kinetics and cost effectiveness. However, these materials suffer from low hydrogen storage capacity, particularly at…

Materials Science · Physics 2014-09-26 Viney Dixit , Ashish Bhatnagar , R. R. Shahi , T. P. Yadav , O. N. Srivastava

In the present work we propose "nanofluid filled enclosures" as potential photo-thermal energy conversion and sensible heat storage devices. Herein, the optical charging of the nanofluid has been modeled as "solar radiant energy -…

Applied Physics · Physics 2022-03-15 Inderpreet Singh , Satbir Singh Sehgal , Vikrant Khullar

We report on hydrogen adsorption and desorption on titanium-covered graphene in order to test theoretical proposals to use of graphene functionalized with metal atoms for hydrogen storage. At room temperature titanium islands grow with an…

Chemical Physics · Physics 2013-12-06 Torge Mashoff , Makoto Takamura , Shinichi Tanabe , Hiroki Hibino , Fabio Beltram , Stefan Heun

Water in nanoscale cavities is ubiquitous and of central importance to everyday phenomena in geology and biology. However, the properties of nanoscale water can be remarkably different from bulk, as shown e.g., by the anomalously low…

Materials Science · Physics 2025-01-08 Venkat Kapil , Christoph Schran , Andrea Zen , Ji Chen , Chris J. Pickard , Angelos Michaelides

Ab initio molecular dynamic method within the framework of density functional theory is applied to analyze the structural and electronic properties of crystalline molecular hydrogen at temperature 100\,K. Pressure, pair correlation function…

Materials Science · Physics 2022-01-12 I. Saitov

The electrical resistivity of liquid hydrogen has been measured at the high dynamic pressures, densities and temperatures that can be achieved with a reverberating shock wave. The resulting data are most naturally interpreted in terms of a…

Materials Science · Physics 2009-10-30 W. J. Nellis , A. A. Louis , N. W. Ashcroft

An overview is presented of the various phases predicted to occur when gases are absorbed within a bundle of carbon nanotubes. The behavior may be characterized by an effective dimensionality, which depends on the species and the…

Soft Condensed Matter · Physics 2007-05-23 M. Mercedes Calbi , Milton W. Cole , Silvina M. Gatica , Mary J. Bojan , George Stan

Hydrogen is key in reducing greenhouse gas emissions in materials production. At the same time, it significantly affects mechanical properties, often causing unwanted embrittlement. However, rather than solely addressing these…

Metal hydrides are critical materials in numerous technologies including hydrogen storage, gas separation, and electrocatalysis. Here, using Pd-H as a model metal hydride, we perform electrochemical insertion studies of hydrogen via liquid…

Materials Science · Physics 2018-08-07 Jesse D. Benck , Ariel Jackson , David Young , Daniel Rettenwander , Yet-Ming Chiang

In recent years, metal hydride research has become one of the driving forces of the high-pressure community, as it is believed to hold the key to superconductivity close to ambient temperature. While numerous novel metal hydride compounds…

We perform an extensive combinatorial search for optimal nanostructured hydrogen storage materials among various metal-decorated polymers using first-principles density-functional calculations. We take into account the zero-point vibration…

Materials Science · Physics 2009-11-11 Hoonkyung Lee , Woon Ih Choi , Jisoon Ihm

Due to their ability to reversibly absorb/desorb hydrogen without hysteresis, Pd--Au nanoalloys have been proposed as materials for hydrogen sensing. For sensing, it is important that absorption/desorption isotherms are reproducible and…

Materials Science · Physics 2021-08-17 J. Magnus Rahm , Joakim Löfgren , Erik Fransson , Paul Erhart