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First-Principles Thermodynamics of CsSnI3

Publications associées (58)

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Thermal Engineering of Metal-Organic Frameworks for Adsorption Applications: A Molecular Simulation Perspective

Venkat Kapil

Thermal engineering of metal-organic frameworks for adsorption-based applications is very topical in view of their industrial potential, in particular, since heat management and thermal stability have been identified as important obstacles. Hence, a fundam ...

AMER CHEMICAL SOC2019

Defossilize Switzerland Yes we can

François Maréchal

With the help of thermodynamics and system engineering techniques, we will discuss options to make a country like Switzerland 100% renewable and even negative in carbon dioxide emissions. ...

2019

Reversible Segregation of Nickel from Perovskite-type Oxides - Applications in Energy Processes

Patrick Simon Steiger

In this thesis, Ni catalysts derived from perovskite-type metal oxides (PMO, general formula ABO3, A=lanthanide or earth alkaline element, B=transition metal) are investigated as a potential class of materials, which are able to overcome thechallenges of c ...

EPFL2018

Molecular thermodynamics of metabolism: hydration quantities and the equation-of-state approach

Vassily Hatzimanikatis, Meriç Ataman, Noushin Hadadi

The present work is part of a series of papers aiming at a thorough understanding of the thermodynamics of metabolism over a broad range of external conditions. The focus here is on the systematic study of solvation/hydration of a variety of fluids via an ...

Royal Soc Chemistry2016

Observation of extreme phase transition temperatures of water confined inside isolated carbon nanotubes

Kumar Varoon Agrawal

Fluid phase transitions inside single, isolated carbon nanotubes are predicted to deviate substantially from classical thermodynamics. This behaviour enables the study of ice nanotubes and the exploration of their potential applications. Here we report mea ...

2016

Adaptive elastic networks as models of supercooled liquids

Matthieu Wyart

The thermodynamics and dynamics of supercooled liquids correlate with their elasticity. In particular for covalent networks, the jump of specific heat is small and the liquid is strong near the threshold valence where the network acquires rigidity. By cont ...

Amer Physical Soc2015

Heat capacity properties of quasi-one-dimensional magnet beta-TeVO4

Helmuth Berger

We studied the temperature dependence of heat capacity C-P(T) of a quasi-one-dimensional magnetic system beta-TeVO4, in a zero magnetic field and a temperature region of 0.1 K

Amer Inst Physics2015

Combined and Distinct Contributions of Different Carbon Nano-Forms in Polypropylene

Nikolaos Nianias

In the present work a thorough investigation of how small amounts of multiwall carbon nanotubes (CNTs), nanodiamonds (NDs), and combinations between them affect the properties and performance of polypropylene (PP) is presented. An improvement on the mechan ...

Wiley-V C H Verlag Gmbh2015

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The present work is the first of a series of papers aiming at a coherent and unified development of the thermodynamics of metabolism and the rationalization of feasibility analysis of metabolic pathways. The focus in this part is on high-level quantum chem ...

Royal Soc Chemistry2015

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The buffer-rock barriers system is widely proved to be one of the most promising options for isolating high-level radioactive waste from the human environment. To certify the efficiency and provide the additional development regarding design and assessment ...

Crc Press-Taylor & Francis Group2015