Results 1 to 10 of about 80,867 (311)

4<i>s</i> Molecular Orbitals and Strongly Correlated 3d States in TiO<i>_x</i> and VO<i>_x</i>. [PDF]

J Am Chem Soc
Takegami D, Melendez-Sans A, Miyoshino T, Nakamura R, Ferreira-Carvalho M, Poelchen G, Chang CF, Yoshimura M, Tsuei KD, Matsumoto H, Yanagida A, Yoshimura R, Yano S, Iwata T, Katsufuji T, Hariki A, Tjeng LH, Mizokawa T.   +17 more
europepmc   +1 more source

Theoretical study of GaBX₃ halide perovskites for optoelectronic and energy conversion applications. [PDF]

RSC Adv
Shamsuddoha SM, Rahman T, Ovi IA, Bandhya S, Jahirul Islam M.   +4 more
europepmc   +1 more source

Integrated learning-assisted design of metal-nitrogen-carbon single-atom catalysts: electronegativity regulates the coupling rules of interfacial valence electrons. [PDF]

Chem Sci
Zhang H, Luo Z, Sun X, Zhou Y, Yan W, Li J, Zhang T, Cui H, Tian W, Feng R, Yuan H.   +10 more
europepmc   +1 more source

Exploring lead-free A₂AgRhF₆ fluoride double perovskites for photovoltaic applications: a first-principles and device simulation study. [PDF]

RSC Adv
Apon IA, Rafiu R, Hasan MS, Rahman MA, Sumaia SS, Alsuhaibani AM, Refat MS, Benghanem M, AlFaify S, Elboughdiri N.   +9 more
europepmc   +1 more source

Design of polar XC₃ (X = P, As, Sb, Bi) monolayers with coupled bandgap, polarization, and optical responses. [PDF]

RSC Adv
Li W, Shi J, Chang J, Fu B.
europepmc   +1 more source

First-principles study of ZnO/MoSeTe van der Waals heterostructures for photovoltaic and hydrogen evolution applications. [PDF]

RSC Adv
Abraham DS, Obodo KO, Kassaye AS, Hailouf HE, Asres GA.   +4 more
europepmc   +1 more source

First-Principles Insights into the Structural, Electronic, Optical, and Thermoelectric Properties of Novel Halide Double Perovskites Rb₂InCuX₆ (X = F, Cl, Br). [PDF]

Nanomaterials (Basel)
Israr N, Zhu P, Ali F, Maroof Z, He S, Wu P, Lu H, Sun W, Wu Z, Yuan F.   +9 more
europepmc   +1 more source