Results 41 to 50 of about 1,459,971 (157)

RESEARCH OF PHYSICO-CHEMICAL PROPERTIES OF SOME EXPLOSIVES BY COMPUTER MODELLING

Вестник Кемеровского государственного университета, 2014
Using the computer modeling, within density functional theory, as well as using a localized basis set and the B3LYP hybrid functional, the geometric parameters of the molecules of energetic materials of TATB, PETN, RDX, TNB, TNTA, Si-PETN, C2N5O2H3  and ...
T. L. Prazyan, Yu. N. Zhuravlev
doaj  

Scalable one-pot synthesis of aminated reduced graphene oxide for high-performance supercapacitor electrodes

iScience
Summary: Functionalizing graphene by adding amine groups can significantly enhance its wettability and overall properties. However, traditional methods for introducing −NH2 typically require lengthy processing times, high temperatures, and pressures ...
Suraj Kumar, Priyakshi Bora, Kunal Roy, Navya Rani M., Dinesh Rangappa, Dipak Sinha   +5 more
doaj   +1 more source

Tailoring Anisotropic Thermal Conductivity in Hollow Tellurium Nanowires via Surface Palladium Decoration for Energy Applications

Energies
Directional control of heat flow is essential for advanced energy and electronic systems, yet strategies for tuning anisotropic phonon transport in low-dimensional materials remain limited.
Keisuke Uchida, Keisuke Kaneko, Yoshiyuki Shinozaki, Masayuki Takashiri   +3 more
doaj   +1 more source

Tilt-induced charge localisation in phosphide antiperovskite photovoltaics

JPhys Materials, 2023
Antiperovskites are a rich family of compounds with applications in battery cathodes, superconductors, solid-state lighting, and catalysis. Recently, a novel series of antimonide phosphide antiperovskites ( A _3 SbP, where A = Ca, Sr Ba) were proposed as
Ruiqi Wu, Alex M Ganose
doaj   +1 more source

Catalytic study of efficient nanocomposites {Ni0.5 Zn0.5−x Cex -oxides electrodes} for natural gas-fed fuel cells

Materials Research Express, 2020
Highly catalytic active anode materials are one of the scorching zones in recent solid oxide fuel cells (SOFCs). In order to develop high performance SOFCs compatible anode materials are extremely required.
Zuhra Tayyab, Saif Ur Rehman, Imran Shakir, M Ajmal Khan, Naveed Mushtaq, Farah Alvi, Sajid Rauf, Aqsa Khan, Mahin Fatima, Rizwan Raza   +9 more
doaj   +1 more source

Unique activity of a Keggin POM for efficient heterogeneous electrocatalytic OER

iScience
Summary: Polyoxometalates (POMs) have been well studied and explored in electro/photochemical water oxidation catalysis for over a decade. The high solubility of POMs in water has limited its use in homogeneous conditions. Over the last decade, different
Chandani Singh, Dan Meyerstein, Zorik Shamish, Dror Shamir, Ariela Burg   +4 more
doaj   +1 more source

Editorial: Nanostructured functional materials for smart window, anti-corrosion/fouling and electronic packaging

Frontiers in Chemistry, 2022
Ning Wang, Lin Gu, Yujie Ke, Yujie Ke, Ying Zhong   +4 more
doaj   +1 more source

Structural Battery Electrolytes Based on a Cross‐Linked Methacrylate Polymer and a Protic Ionic Liquid: Is There an Optimal Composition?

Advanced Energy & Sustainability Research
Within the development of structural batteries, finding the optimal electrolyte composition, that is, one that offers both high ionic conductivity and mechanical stiffness, is essential.
Nicole Abdou, Achilleas Pipertzis, Richa Chaudhary, Lars Evenäs, Johanna Xu, Leif E. Asp, Jan Swenson, Anna Martinelli   +7 more
doaj   +1 more source

Anecdotes and guidance notes: surviving and thriving as a woman in science

JPhys Energy
Women have overtaken men in academic engagement and achievement at virtually all levels of secondary and tertiary education. However, despite numerous initiatives over several decades, women currently comprise only a fraction (13%–28%, depending on the ...
B Gaggio, E H Driscoll, F C J Robinson, J Singleton, J L MacManus-Driscoll   +4 more
doaj   +1 more source

New Avenues to Chemical Space for Energy Materials by the Molecular Precursor Approach. [PDF]

Small Sci, 2023
Ghosh S, Dasgupta B, Walter C, Menezes PW, Driess M.   +4 more
europepmc   +1 more source