Special issue "molecular engineering for electrochemical power sources"

بواسطة Manzhos, S
منشور في 2020

Defects in alpha and gamma crystalline nylon6: A computational study

بواسطة Arabnejad, S, Manzhos, S
منشور في 2020

Understanding the difference in cohesive energies between alpha and beta tin in DFT calculations

بواسطة Legrain, F, Manzhos, S
منشور في 2020

Inverse multiquadratic functions as the basis for the rectangular collocation method to solve the vibrational Schr”dinger equation

بواسطة Kamath, A, Manzhos, S
منشور في 2020

Lithium and sodium storage on tetracyanoethylene (TCNE) and TCNE-(doped)-graphene complexes: A computational study

بواسطة Chen Y., Manzhos S.
منشور في 2016

Highly accurate local pseudopotentials of Li, Na, and Mg for orbital free density functional theory

بواسطة Legrain F., Manzhos, Sergei
منشور في 2016

Aluminum doping improves the energetics of lithium, sodium, and magnesium storage in silicon: A first-principles study

بواسطة Legrain Fleur, Manzhos Sergei
منشور في 2016

Stability of charges in titanium compounds and charge transfer to oxygen in titanium dioxide

بواسطة Koch, D., Golub, P., Manzhos, S.
منشور في 2020

A comparative Density Functional Theory and Density Functional Tight Binding study of phases of nitrogen including a high energy density material N8

بواسطة Capel, N, Bharania, D, Manzhos, S
منشور في 2020

Effect of isotopic substitution on elementary processes in dye-sensitized solar cells: Deuterated amino-phenyl acid dyes on TiO 2

بواسطة Manzhos, S, Segawa, H, Yamashita, K
منشور في 2020

Insertion energetics of lithium, sodium, and magnesium in crystalline and amorphous titanium dioxide: A comparative first-principles study

بواسطة Legrain Fleur, Malyi Oleksandr, Manzhos Sergei
منشور في 2016

A computational study of adsorption and vibrations of UF6 on graphene derivatives: Conditions for 2D enrichment

بواسطة Koh, Yangwei, Westerman, Kenneth, Manzhos, Sergei
منشور في 2016

Insertion of mono- vs. Bi- vs. trivalent atoms in prospective active electrode materials for electrochemical batteries: An ab initio perspective

بواسطة Kulish, V.V, Koch, D, Manzhos, S
منشور في 2020

Understanding doping strategies in the design of organic electrode materials for Li and Na ion batteries: An electronic structure perspective

بواسطة Lüder, J, Cheow, M.H, Manzhos, S
منشور في 2020

Lithium attachment to C60 and nitrogen- and boron-doped C60: A mechanistic study

بواسطة Chen, Y., Cho, C.-R., Manzhos, S.
منشور في 2022

Dopant–dopant interactions in beryllium doped indium gallium arsenide: An ab initio study

بواسطة Kulish, Vadym, Liu, Wenyuan, Benistant, Francis, Manzhos, Sergei
منشور في 2018

Computational design of small phenothiazine dyes for dye-sensitized solar cells by functionalizations affecting the thiophene unit

بواسطة Tu Wei Han, Tan Yi Yin, Rege Omkar, Manzhos Sergei
منشور في 2016

A computational study of the insertion of Li, Na, and Mg atoms into Si(111) nanosheets

بواسطة Manzhos, Sergei, Kulish, Vadym V., Tan, Teck L., Malyi, Oleksandr I.
منشور في 2013

Effect of a weak magnetic field on ductile–brittle transition in micro-cutting of single-crystal calcium fluoride

بواسطة Guo, Y, Lee, YJ, Zhang, Y, Sorkin, A, Manzhos, S, Wang, H
منشور في 2022

Applying a Smolyak Collocation Method to Cl2CO

بواسطة Eduardo Castro, Gustavo Avila, Sergei Manzhos, Jay Agarwal, Fritz Schaefer, Tucker Carrington
منشور في 2018