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Subsurface fluid flow and solute transport are pivotal in addressing pressing energy, environmental, and societal challenges, such as geological CO2 storage. Basaltic rocks have gained prominence as suitable geological substrates for…

Fluid Dynamics · Physics 2024-03-21 Mohammad Nooraiepour , Mohammad Masoudi , Beyene Girma Haile , Helge Hellevang

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…

We performed density-functional theory calculations using the generalized gradient approximation for the exhange-correlation functional to investigate the unusual catalytic behavior of Ru under elevated gas pressure conditions for the…

Materials Science · Physics 2008-02-03 C. Stampfl , M. Scheffler

As I compress on the canvas of a few pages here major results of my research on the retinoblastoma tumor suppressor protein (RB) spreading over the past 15 years, an exciting picture emerges on this unique host molecule which surpasses in…

Biomolecules · Quantitative Biology 2007-06-15 Razvan Tudor Radulescu

Developing efficient electrocatalysts for CO$_2$ reduction into value-added products is crucial for the green economy. Inspired by the recent synthesis of Biphenylene (BPH), we have systematically investigated pristine, defective, and…

Materials Science · Physics 2024-10-28 Radha N Somaiya , Muhammad Sajjad , Nirpendra Singh , Aftab Alam

Cement is one of the most produced materials in the world. A major player in greenhouse gas emissions, it is the main binding agent in concrete, to which it provides a cohesive strength that rapidly increases during setting. Understanding…

By combining first principles transition state location and molecular dynamics simulation, we unambiguously identify a carbon atom approaching induced bridging metal structure formation on Cu (111) surface, which strongly modify the carbon…

Materials Science · Physics 2023-11-21 Ping Wu , Wenhua Zhang , Zhenyu Li , Jinlong Yang , Jian Guo Hou

We describe a new principle - the Alkalinity Concentration Swing (ACS) - for direct air capture of carbon dioxide driven by concentrating an alkaline solution that has been exposed to the atmosphere and loaded with dissolved inorganic…

Chemical Physics · Physics 2021-12-07 Anatoly Rinberg , Andrew M. Bergman , Daniel P. Schrag , Michael J. Aziz

Hydrogen production as a clean, sustainable replacement for fossil fuels is gathering pace. Doubling the capacity of Paris-CDG airport has been halted, even with the upcoming Olympic Games, until hydrogen powered planes can be used. It is…

Chemical Physics · Physics 2022-05-11 Aslı Öztürk Kiraz , Ali Bagci , Philip E. Hoggan

The dissolution and subsequent mass transfer of carbon dioxide gas into liquid barriers plays a vital role in many environmental and industrial applications. In this work, we study the downward dissolution and propagation dynamics of CO2…

Recent experiments have revealed that cytoplasms become glassy when their metabolism is suppressed, while they maintain fluidity in a living state. The mechanism of this active fluidization is not clear, especially for bacterial cytoplasms,…

Soft Condensed Matter · Physics 2019-12-18 Norihiro Oyama , Takeshi Kawasaki , Hideyuki Mizuno , Atsushi Ikeda

Eight percent of global carbon dioxide emissions can be attributed to the production of cement, the main component of concrete, which is also the dominant source of CO2 emissions in the construction of data centers. The discovery of…

Machine Learning · Computer Science 2023-11-21 Sebastian Ament , Andrew Witte , Nishant Garg , Julius Kusuma

This computational study introduces a theoretical framework for practical, electrochemical fuel generation displaying exponential product yields as functions of time. Exponential reaction scaling is simulated through an autocatalytic cycle…

Chemical Physics · Physics 2026-02-03 Peter Agbo

The alteration of the climate in various areas of the world is of increasing concern since climate stability is a necessary condition for human survival as well as every living organism. The main reason of climate change is the greenhouse…

Dynamical Systems · Mathematics 2025-02-05 Federico Zocco , Joan García , Wassim M. Haddad

Large-scale applications are waiting for an optimal CO2 scavenger to reinforce CCS and CCU technologies. We herein introduce and succinctly validate a new philosophy of capturing gaseous CO2 by negatively-charged carbonaceous structures.…

Materials Science · Physics 2022-12-07 Vitaly V. Chaban , Nadezhda A. Andreeva

We have performed quantum chemical computational studies to determine carbon dioxide affinity to carbon compounds and minerals, which could be present in shales. These studies shed light on the microscopic mechanisms of the possible carbon…

Materials Science · Physics 2017-10-06 Mateusz Wlazło , Alexandra Siklitskaya , Jacek A. Majewski

The ribosome is a macromolecular complex which is responsible for protein synthesis in all living cells according to their transcribed genetic information. Using X-ray crystallography and, more recently, cryo-electron microscopy (cryo-EM),…

Biological Physics · Physics 2017-11-17 Lars V. Bock , Michal H. Kolář , Helmut Grubmüller

We design an all-carbon membrane for the filtration and desalination of water. A unique layered assembly of carbon nanostructures including graphite oxide (GO), buckypaper consisting of carbon nanotubes, and a strong carbon fabric provides…

Materials Science · Physics 2019-09-04 David Tománek , Andrii Kyrylchuk

Catalysis, the acceleration of chemical reactions by molecules that are not consumed in the process, is essential to living organisms but currently absent in physical systems that aspire to emulate biological functionalities with artificial…

Soft Condensed Matter · Physics 2022-11-23 Maitane Muñoz-Basagoiti , Olivier Rivoire , Zorana Zeravcic

The multifarious internal workings of organisms are difficult to reconcile with a single feature defining a state of being alive. Indeed, definitions of life rely on emergent properties (growth, capacity to evolve, agency) only symptomatic…

Other Quantitative Biology · Quantitative Biology 2023-08-16 Simon Pierce