Transition metal doping: a new and effective approach for remarkably high nonlinear optical response in aluminum nitride nanocages

2018 ◽  
Vol 42 (9) ◽  
pp. 6976-6989 ◽  
Author(s):  
Yasir Arshad ◽  
Saima Khan ◽  
Muhammad Ali Hashmi ◽  
Khurshid Ayub
Keyword(s):  
Transition Metal ◽  
Alkali Metal ◽  
Aluminum Nitride ◽  
Nonlinear Optical ◽  
Nonlinear Optical Response ◽  
Transition Metal Doping ◽  
Metal Doping ◽  
Early Transition Metal ◽  
Nlo Response ◽  
Metal Doped

NLO response of early transition metal (Sc)-doped aluminum nitride nanocages is comparable to those of their alkali-metal-doped analogues.

Remarkable nonlinear optical response of alkali metal doped aluminum phosphide and boron phosphide nanoclusters

2018 ◽  
Vol 271 ◽  
pp. 51-64 ◽  
Author(s):  
Sajida Munsif ◽  
Maria ◽  
Saima Khan ◽  
Asghar Ali ◽  
Mazhar Amjad Gilani ◽  
...  
Keyword(s):  
Alkali Metal ◽  
Nonlinear Optical ◽  
Optical Response ◽  
Nonlinear Optical Response ◽  
Aluminum Phosphide ◽  
Boron Phosphide ◽  
Metal Doped

scholarly journals Endohedral metallofullerene electrides of Ca12O12 with remarkable nonlinear optical response

RSC Advances ◽  
2021 ◽  
Vol 11 (3) ◽  
pp. 1569-1580
Author(s):  
Annum Ahsan ◽  
Saima Khan ◽  
Mazhar Amjad Gilani ◽  
Khurshid Ayub
Keyword(s):  
Alkali Metal ◽  
Nonlinear Optical ◽  
Optical Response ◽  
Nonlinear Optical Response ◽  
Metal Doping ◽  
Endohedral Metallofullerene ◽  
Drastic Increase

Electride formation by alkali metal doping with a drastic increase in hyperpolarizability

Nonlinear optical response of first-row transition metal doped Al12P12 nanoclusters; a first-principles study

2021 ◽  
Vol 151 ◽  
pp. 109914
Author(s):  
Faizan Ullah ◽  
Sundus Irshad ◽  
Saima Khan ◽  
Muhammad Ali Hashmi ◽  
Ralf Ludwig ◽  
...  
Keyword(s):  
Transition Metal ◽  
First Principles ◽  
Nonlinear Optical ◽  
Optical Response ◽  
Nonlinear Optical Response ◽  
First Principles Study ◽  
Metal Doped

scholarly journals Enhancing bifunctional catalytic activity of cobalt–nickel sulfide spinel nanocatalysts through transition metal doping and its application in secondary zinc–air batteries

RSC Advances ◽  
2020 ◽  
Vol 10 (68) ◽  
pp. 41871-41882
Author(s):  
Yijie Xu ◽  
Afriyanti Sumboja ◽  
Alexandra Groves ◽  
Thomas Ashton ◽  
Yun Zong ◽  
...  
Keyword(s):  
Catalytic Activity ◽  
Transition Metal ◽  
Electrochemical Performance ◽  
Nickel Sulfide ◽  
Transition Metal Doping ◽  
Metal Doping ◽  
Cobalt Nickel ◽  
Metal Doped ◽  
Zinc Air Batteries

Transition metal-doped cobalt–nickel sulfide spinel (Ni1.29Co1.49Mn0.22S4) nanocatalysts for secondary Zn–air batteries with an efficient and stable electrochemical performance.

Influence of transition metal doping on the electronic and optical properties of ReS2 and ReSe2 monolayers

2017 ◽  
Vol 19 (29) ◽  
pp. 19050-19057 ◽  
Author(s):  
Kingsley Onyebuchi Obodo ◽  
Cecil Napthaly Moro Ouma ◽  
Joshua Tobechukwu Obodo ◽  
Moritz Braun
Keyword(s):  
Optical Properties ◽  
Transition Metal ◽  
Quantum Mechanical ◽  
Transition Metal Doping ◽  
Quantum Mechanical Calculations ◽  
Metal Doping ◽  
Electronic And Optical Properties ◽  
Metal Doped

We investigate the structural, electronic and optical properties of transition metal doped triclinic monolayered rhenium disulfide and diselenide (ReS2 and ReSe2) by means of quantum mechanical calculations.

scholarly journals A New Strategy of bi-Alkali Metal Doping to Design Boron Phosphide Nanocages of High Nonlinear Optical Response with Better Thermodynamic Stability

2021 ◽  
Author(s):  
Rimsha Baloach ◽  
Khurshid Ayub ◽  
Tariq Mahmood ◽  
Anila Asif ◽  
Sobia Tabassum ◽  
...  
Keyword(s):  
Alkali Metal ◽  
Thermodynamic Stability ◽  
Optical Materials ◽  
Nonlinear Optical ◽  
Nonlinear Optical Response ◽  
Nonlinear Optical Materials ◽  
Boron Phosphide ◽  
Metal Atoms ◽  
Metal Doped ◽  
Homo Lumo

Abstract Nonlinear optical materials possess high rank in fields of optics owing to their impacts, utilization and extended applications in industrial sector. Therefore, design of molecular systems with high nonlinear optical response along with high thermodynamic stability is a dire need of this era. Hence, the present study involves investigation of bi-alkali metal doped boron phosphide nanocages M2@B12P12 (M = Li, Na, K) in search of stable nonlinear optical materials. The investigation includes execution of geometrical and opto-electronic properties of complexes by means of density functional theory (DFT) computations. Bi-doped alkali metal atoms introduce excess of electrons in the host B12P12 nanocage. These electrons contribute towards the formation of new HOMO, thus reducing HOMO-LUMO gaps. The reduced HOMO-LUMO gap ranges from 0.63eV to 3.69eV. The diffused excess electrons also come up with increased hyperpolarizability values of complexes i.e. up to 4.0×104au. TD-DFT calculations have been performed to examine crucial transition states and for UV-VIS analysis. IR and DOS spectra have been plotted to support our obtained results. Non covalent interaction (NCI) calculations along with quantum theory of the atoms in molecules (QTAIM) analysis were carried out to understand the bonding interactions between alkali metal atoms and B12P12 nanocage. All obtained results suggest bi-alkali metal doped nanocages as exceptionally stable materials with improved NLO response and superb candidates for their vast applications in optics.

scholarly journals Correction: Intrinsic defect formation and the effect of transition metal doping on transport properties in a ductile thermoelectric material α-Ag2S: a first-principles study

2021 ◽  
Author(s):  
Ho Ngoc Nam ◽  
Ryo Yamada ◽  
Haruki Okumura ◽  
Tien Quang Nguyen ◽  
Katsuhiro Suzuki ◽  
...  
Keyword(s):  
Transition Metal ◽  
Transport Properties ◽  
Thermoelectric Material ◽  
First Principles ◽  
Defect Formation ◽  
Chem Phys ◽  
Intrinsic Defect ◽  
Transition Metal Doping ◽  
Metal Doping ◽  
First Principles Study

Correction for ‘Intrinsic defect formation and the effect of transition metal doping on transport properties in a ductile thermoelectric material α-Ag2S: a first-principles study’ by Ho Ngoc Nam et al., Phys. Chem. Chem. Phys., 2021, DOI: 10.1039/d0cp06624a.

Competing hydrogen-bonding interactions in a high-Tc organic molecular-ionic crystal with evident nonlinear optical response

CrystEngComm ◽  
2021 ◽  
Vol 23 (13) ◽  
pp. 2509-2512
Author(s):  
Wen-Tao Xu ◽  
Jun-Chao Liu ◽  
Yu-Ling Zeng ◽  
Hua Zhang ◽  
Zhong-Xia Wang
Keyword(s):  
Phase Transition ◽  
Hydrogen Bonding ◽  
Ionic Crystal ◽  
Nonlinear Optical ◽  
Optical Response ◽  
Nonlinear Optical Response ◽  
High Tc ◽  
Hydrogen Bonding Interactions ◽  
Nlo Response

An organic molecular-ionic crystal of (TPPO–H)2SO4 exhibits moderate NLO response which is twice that of KDP and competing hydrogen-bonding interactions triggered high-Tc phase transition.

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