03 Fakultät Chemie : [1113] Collection home page

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Collection's Items (Sorted by Submit Date in Descending order): 1 to 20 of 1113
Issue DateTitleAuthor(s)
2022Gelatin-based hydrogel foams - morphology and polymer functionalityDehli, Friederike
2022Interphases between alkali metals (Li, Na) and battery electrolytes : ion transport and growth behaviorLim, Kyungmi
2021Structural and magnetic properties of newly found BaFeO2.667 synthesized by oxidizing BaFeO2.5 obtained via nebulized spray pyrolysisWollstadt, Stephan; Ikeda, Yuji; Sarkar, Abhishek; Vasala, Sami; Fasel, Claudia; Alff, Lambert; Kruk, Robert; Grabowski, Blazej; Clemens, Oliver
2022Use of time domain nuclear magnetic resonance relaxometry to monitor the effect of magnetic field on the copper corrosion rate in real timeIgreja Nascimento Mitre, Cirlei; Ferreira Gomes, Bruna; Paris, Elaine; Silva Lobo, Carlos Manuel; Roth, Christina; Colnago, Luiz Alberto
2022Renewable district energy systems with formic acid based hydrogen storageLust, Daniel
2022Li5Sn, the most lithium-rich binary stannide : a combined experimental and computational studyStelzer, Robert U.; Ikeda, Yuji; Srinivasan, Prashanth; Lehmann, Tanja S.; Grabowski, Blazej; Niewa, Rainer
2022Entropy of kink pair formation on screw dislocations : an accelerated molecular dynamics studyZotov, Nikolay; Grabowski, Blazej
2022High-entropy hydrides for fast and reversible hydrogen storage at room temperature : binding-energy engineering via first-principles calculations and experimentsAbbas, Mohammadi; Ikeda, Yuji; Edalati, Parisa; Mito, Masaki; Grabowski, Blazej; Edalati, Kaveh
2022Recent advances in understanding diffusion in muti-principal element systemsDash, Anuj; Paul, Aloke; Sen, Sandipan; Divinski, Sergiy; Kundin, Julia; Steinbach, Ingo; Grabowski, Blazej; Zhang, Xi
2022Approximating the impact of nuclear quantum effects on thermodynamic properties of crystalline solids by temperature remappingDsouza, Raynol; Huber, Liam; Grabowski, Blazej; Neugebauer, Jörg
2022Thermodynamics up to the melting point in a TaVCrW high entropy alloy : systematic ab initio study aided by machine learning potentialsZhou, Ying; Srinivasan, Prashanth; Körmann, Fritz; Grabowski, Blazej; Smith, Roger; Goddard, Pooja; Duff, Andrew Ian
2021Thermally-activated dislocation mobility in bcc metals : an accelerated molecular dynamics studyGrabowski, Blazej; Zotov, Nikolay
2021Finite-temperature interplay of structural stability, chemical complexity, and elastic properties of bcc multicomponent alloys from ab initio trained machine-learning potentialsGubaev, Konstantin; Ikeda, Yuji; Tasnádi, Ferenc; Neugebauer, Jörg; Shapeev, Alexander V.; Grabowski, Blazej; Körmann, Fritz
2022Ab initio surface free energies of tungsten with full account of thermal excitationsForslund, Axel; Ruban, Andrei
2021Ab initio simulations of the surface free energy of TiN(001)Forslund, Axel; Zhang, Xi; Grabowski, Blazej; Shapeev, Alexander V.; Ruban, Andrei V.
2022Deposition and characterization of multi-functional, complex thin films using atomic layer deposition for copper corrosion protectionDogan, Gül
2022Microporous catalysts for direct methane oxidation to oxygenates by using H2O2 as oxidantXu, Caiyun
2022Novel electrolyte systems for high-performance magnesium batteriesWang, Peiwen
2022Exploring metal organic layer based composites for selective electrocatalytic CO2 reduction to formateLiu, Hang
2022Computational analysis of periodic systems for covalent organic frameworks and molecules in high electric fieldsSchuldt, Robin
Collection's Items (Sorted by Submit Date in Descending order): 1 to 20 of 1113