An extensive investigation of structural, electronic, optical, magnetic, and thermoelectric properties of NaMnAsO 4 cluster by first‐principles calculations

Tailoring of band gap to tune the optical and thermoelectric properties of Sr1-xBaxSnO3 stannates for clean energy; probed by DFT

(2021) Umm-e-Hani et al.   CHEMICAL PHYSICS

Electronic and optical properties of organic-inorganic (CuII /ReVII)-heterobimetallic L-Arginine complex: Experimental and Computational studies

(2021) N. Baaalla et al.   JOURNAL OF MOLECULAR STRUCTURE

Appealing perspectives of structural, electronic, mechanical, and thermoelectric properties of Tl2(Se, Te)Cl6 vacancy-ordered double perovskites

(2021) Malak Azmat Ali et al.   JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS

First principle study of optoelectronic and thermoelectric properties of magnesium based MgX2O4 (X = Sb, Bi) spinels

(2021) Murefah mana Al-anazy et al.   JOURNAL OF SOLID STATE CHEMISTRY

New lead-free double perovskites (Rb2GeCl/Br)6; a promising materials for renewable energy applications

(2021) Abeer A. AlObaid et al.   MATERIALS CHEMISTRY AND PHYSICS

The novel material based on strandberg-type hybrid complex (C6H10N2)2[Co(H2O)4P2Mo5O23].6H2O: Experimental and simulations investigation on electronic, optical, and magnetocaloric properties

(2020) N. Baaalla et al.   CERAMICS INTERNATIONAL

Ab initio calculations on electronic, optical, and thermoelectric properties of (Si, Pb) (co)-doped ZnS for solar cell device applications

(2019) H. Absike et al.   JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS

DFT investigations on optoelectronic spectra and thermoelectric properties of barium cadmium disulphide (BaCdS2)

(2019) Sachin Kumar et al.   OPTIK

Evaluating transition metal oxides within DFT-SCAN and SCAN+U frameworks for solar thermochemical applications

(2018) Gopalakrishnan Sai Gautam et al.   PHYSICAL REVIEW MATERIALS

A systematic study of 25Mg NMR in paramagnetic transition metal oxides: applications to Mg-ion battery materials

(2017) Jeongjae Lee et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Computation-Driven Materials Search for Thermoelectric Applications

(2017) Qing Hao et al.   ECS Journal of Solid State Science and Technology

Electronic and Optoelectronic Applications Based on 2D Novel Anisotropic Transition Metal Dichalcogenides

(2017) Chuanhui Gong et al.   Advanced Science

Temperature-dependent luminescence properties of lanthanide(iii) β-diketonate complex-doped LAPONITE®

(2016) Qianqian Xu et al.   PHOTOCHEMICAL & PHOTOBIOLOGICAL SCIENCES

2D Transition Metal Oxides/Hydroxides for Energy-Storage Applications

(2015) Hui Teng Tan et al.   ChemNanoMat

Mixed Transition-Metal Oxides: Design, Synthesis, and Energy-Related Applications

(2014) Changzhou Yuan et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Progress in Solid Oxide Fuel Cells with Nickel-Based Anodes Operating on Methane and Related Fuels

(2013) Wei Wang et al.   CHEMICAL REVIEWS

BoltzWann: A code for the evaluation of thermoelectric and electronic transport properties with a maximally-localized Wannier functions basis

(2013) Giovanni Pizzi et al.   COMPUTER PHYSICS COMMUNICATIONS

Synthesis, Crystal Structure, and Characterization of Na7Cu4(AsO4)5

(2012) Fathia Rajah et al.   PHOSPHORUS SULFUR AND SILICON AND THE RELATED ELEMENTS

Electrocatalysts for Nonaqueous Lithium–Air Batteries: Status, Challenges, and Perspective

(2012) Yuyan Shao et al.   ACS Catalysis

Electrochemical Energy Storage for Green Grid

(2011) Zhenguo Yang et al.   CHEMICAL REVIEWS

Solar Energy Supply and Storage for the Legacy and Nonlegacy Worlds

(2010) Timothy R. Cook et al.   CHEMICAL REVIEWS

LSDA+Umethod: A calculation of theUvalues at the Hartree-Fock level of approximation

(2010) Antonis N. Andriotis et al.   PHYSICAL REVIEW B

Nanostructured electrode materials for electrochemical energy storage and conversion

(2008) A. Manthiram et al.   Energy & Environmental Science

Materials for electrochemical capacitors

(2008) Patrice Simon et al.   NATURE MATERIALS