A comprehensive review of hydrogen production and storage: A focus on the role of nanomaterials
Nanomaterials are beginning to play an essential role in addressing the challenges
associated with hydrogen production and storage. The outstanding physicochemical …
associated with hydrogen production and storage. The outstanding physicochemical …
Utilization of nano materials in hydrogen production-Emerging technologies and its advancements: An overview
Novel, environmentally friendly, and clean energy sources have been developed in
response to increased global energy demand and the associated effects of global warming …
response to increased global energy demand and the associated effects of global warming …
Chalcogenide Perovskites (ABS3; A = Ba, Ca, Sr; B = Hf, Sn): An Emerging Class of Semiconductors for Optoelectronics
P Basera, S Bhattacharya - The Journal of Physical Chemistry …, 2022 - ACS Publications
Chalcogenide perovskites have received considerable interest in the photovoltaic research
community because of their stability, nontoxicity, and lead-free composition. However …
community because of their stability, nontoxicity, and lead-free composition. However …
Role of Defects in Photocatalytic Water Splitting: Monodoped vs Codoped SrTiO3
Using the hybrid density functional theory and ab initio atomistic thermodynamics, we report
that monodoping of nonmetal (N) or metal (Mn) in SrTiO3 can induce visible-light absorption …
that monodoping of nonmetal (N) or metal (Mn) in SrTiO3 can induce visible-light absorption …
Theoretical insights into C–H bond activation of methane by transition metal clusters: the role of anharmonic effects
In heterogeneous catalysis, the determination of active phases has been a long-standing
challenge, as materials' properties change under operational conditions (ie temperature (T) …
challenge, as materials' properties change under operational conditions (ie temperature (T) …
Theoretical insights of codoping to modulate electronic structure of and for enhanced photocatalytic efficiency
TiO 2 and SrTiO 3 are well known materials in the field of photocatalysis due to their
exceptional electronic structure, high chemical stability, non-toxicity and low cost. However …
exceptional electronic structure, high chemical stability, non-toxicity and low cost. However …
Importance of Many-Body Dispersion in the Stability of Vacancies and Antisites in Free-Standing Monolayer of MoS2 from First-Principles Approaches
Defects in MoS2 monolayer play a vital role in altering the electric and optical properties,
which is a crucial factor in various semiconducting and optoelectronic devices. In the present …
which is a crucial factor in various semiconducting and optoelectronic devices. In the present …
A first-principle study on the formation and migration of AlH3 defect on (1 1 2) NaAlH4 surface
C Liu, P Guo, Y Qiao, S Zhang - Chemical Physics, 2020 - Elsevier
The formation and migration of AlH 3 defect is suggested to be the rate-limiting step in the
early stage of the dehydrogenation of NaAlH 4. This paper presents a first-principles …
early stage of the dehydrogenation of NaAlH 4. This paper presents a first-principles …
Theoretical insights of codoping to modulate electronic structure of [Formula: see text] and [Formula: see text] for enhanced photocatalytic efficiency.
TiO 2 and SrTiO 3 are well known materials in the field of photocatalysis due to their
exceptional electronic structure, high chemical stability, non-toxicity and low cost. However …
exceptional electronic structure, high chemical stability, non-toxicity and low cost. However …
Metastability triggered reactivity in clusters at realistic conditions: a case study of N-doped (TiO2) n for photocatalysis
Metastability triggered reactivity in clusters at realistic conditions: a case study of N-doped (TiO2)
n for photocatalysis - IOPscience This site uses cookies. By continuing to use this site you …
n for photocatalysis - IOPscience This site uses cookies. By continuing to use this site you …