Experimental and theoretical approach to account for green luminescence from Gd2Zr2O7 pyrochlore: exploring the site occupancy and origin of host-dopant energy transfer in Gd2Zr2O7:Eu3+

RSC Advances ◽  
2016 ◽  
Vol 6 (50) ◽  
pp. 44908-44920 ◽  
Author(s):  
Santosh K. Gupta ◽  
P. S. Ghosh ◽  
C. Reghukumar ◽  
N. Pathak ◽  
R. M. Kadam
Keyword(s):  
Energy Transfer ◽  
Dft Calculations ◽  
Theoretical Approach ◽  
Site Occupancy ◽  
Green Emission ◽  
Green Luminescence ◽  
Local Site

Origin of green emission in undoped Gd2Zr2O7 and photophysical characteristics such as local site and energy transfer dynamics of Gd2Zr2O7:Eu3+ is investigated using PL and DFT calculations.

Why host to dopant energy transfer is absent in the MgAl2O4:Eu3+ spinel? And exploring Eu3+ site distribution and local symmetry through its photoluminescence: interplay of experiment and theory

RSC Advances ◽  
2016 ◽  
Vol 6 (49) ◽  
pp. 42923-42932 ◽  
Author(s):  
Santosh K. Gupta ◽  
P. S. Ghosh ◽  
Nimai Pathak ◽  
R. M. Kadam
Keyword(s):  
Energy Transfer ◽  
Dft Calculations ◽  
Site Occupancy ◽  
Local Symmetry ◽  
Site Distribution ◽  
Local Site

Local site occupancy of Eu3+ in combustion synthesized MgAl2O4 spinel and host → Eu3+ energy transfer dynamics is investigated using photoluminescence and DFT calculations.

scholarly journals Probing local site environments and distribution of manganese in SrZrO3:Mn; PL and EPR spectroscopy complimented by DFT calculations

RSC Advances ◽  
2015 ◽  
Vol 5 (23) ◽  
pp. 17501-17513 ◽  
Author(s):  
Nimai Pathak ◽  
Santosh K. Gupta ◽  
P. S. Ghosh ◽  
A. Arya ◽  
V. Natarajan ◽  
...  
Keyword(s):  
Dft Calculations ◽  
Theoretical Approach ◽  
Epr Spectroscopy ◽  
Valence State ◽  
Local Environment ◽  
Local Site

In order to understand the local environment, valence state and distribution of manganese; a combined experimental and theoretical approach based on PL, EPR and DFT is reported for Sr(1−x)Zr(1−y)Mn(x+y)O3, also explaining the origin of various defect related emissions.

A novel tunable blue-green-emitting CaGdGaAl2O7:Ce3+,Tb3+ phosphor via energy transfer for UV-excited white LEDs

2015 ◽  
Vol 44 (17) ◽  
pp. 8100-8106 ◽  
Author(s):  
Chao Liang ◽  
Hongpeng You ◽  
Yibing Fu ◽  
Xiaoming Teng ◽  
Kai Liu ◽  
...  
Keyword(s):  
Energy Transfer ◽  
Green Emission ◽  
Relative Content ◽  
White Leds

By tuning the relative content of the doped ions, tunable blue-green emission can be obtained by irradiation at 365 nm.

Dazzling green emission from graphene oxide nanosheet-embedded co-doped Ce3+ and Tb3+:PVA polymer nanocomposites for photonic applications

RSC Advances ◽  
2016 ◽  
Vol 6 (59) ◽  
pp. 54525-54538 ◽  
Author(s):  
K. Naveen Kumar ◽  
R. Padma ◽  
J. L. Rao ◽  
Misook Kang
Keyword(s):  
Graphene Oxide ◽  
Energy Transfer ◽  
Polymer Nanocomposites ◽  
Green Emission ◽  
Graphene Oxide Nanosheet ◽  
Uv Excitation ◽  
Co Doped

Novel dazzling green emission has been obtained from graphene oxide nanosheet-embedded Ce3+ and Tb3+:PVA polymer nanocomposites under UV excitation. The green emission of Tb3+ is enhanced by an energy transfer from Ce3+ to Tb3+ and GO NS to Tb3+.

A phenoxo-bridged dicopper(ii) complex as a model for phosphatase activity: mechanistic insights from a combined experimental and computational study

2017 ◽  
Vol 46 (12) ◽  
pp. 4038-4054 ◽  
Author(s):  
Suman K. Barman ◽  
Totan Mondal ◽  
Debasis Koley ◽  
Francesc Lloret ◽  
Rabindranath Mukherjee
Keyword(s):  
Dft Calculations ◽  
Phosphatase Activity ◽  
Theoretical Approach ◽  
Computational Study ◽  
Hydrolysis Of

Hydrolysis of RNA-model substrate HPNP by a dicopper(ii) complex has been studied with combined experimental and theoretical approach. Involvement of H-bonding has been probed by DFT calculations.

Rovibrational spectroscopic constants of the interaction between ammonia and metallo-phthalocyanines: a theoretical protocol for ammonia sensor design

2017 ◽  
Vol 19 (17) ◽  
pp. 10843-10853 ◽  
Author(s):  
Alan R. Baggio ◽  
Daniel F. S. Machado ◽  
Valter H. Carvalho-Silva ◽  
Leonardo G. Paterno ◽  
Heibbe Cristhian B. de Oliveira
Keyword(s):  
Dft Calculations ◽  
Theoretical Approach ◽  
Schrodinger Equation ◽  
Spectroscopic Constants ◽  
Sensor Design ◽  
Discrete Variable ◽  
Ammonia Sensor ◽  
Discrete Variable Representation ◽  
Representation Method ◽  
Variable Representation

We developed an adapted theoretical approach based on DFT calculations (B3LYP) and the nuclear Schrödinger equation using the Discrete Variable Representation method to model the interaction of ammonia with metallo-phthalocyanines.

Single oxygen vacancy in BaCoO3: Hybrid DFT calculations and local site symmetry approach

2022 ◽  
Vol 375 ◽  
pp. 115835
Author(s):  
Davis Zavickis ◽  
Guntars Zvejnieks ◽  
Andrei Chesnokov ◽  
Denis Gryaznov
Keyword(s):  
Oxygen Vacancy ◽  
Dft Calculations ◽  
Site Symmetry ◽  
Symmetry Approach ◽  
Local Site ◽  
Single Oxygen

Site occupancy and enhanced luminescence of broadband NIR gallogermanate phosphors by energy transfer

2019 ◽  
Vol 103 (1) ◽  
pp. 202-213 ◽  
Author(s):  
Tongyu Gao ◽  
Weidong Zhuang ◽  
Ronghui Liu ◽  
Yuanhong Liu ◽  
Chunpei Yan ◽  
...  
Keyword(s):  
Energy Transfer ◽  
Site Occupancy ◽  
Enhanced Luminescence
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