Band-gap-tailoring in Liquid Crystals: Organizing Metal Atoms and Nanoclusters in LC Media

References

• Choi SS, Morris SM, Coles HJ, et al. Wavelength tuning the photonic band gap in chiral nematic liquid crystals using electrically commanded surfaces. Appl Phys Lett. 2007;91:231110.
   Web of Science ®Google Scholar
• Yang X, Zhou M, Wang Y, et al. Electric-field-regulated energy transfer in chiral liquid crystals for enhancing upconverted circularly polarized luminescence through steering the photonic bandgap. Adv Mater. 2020;32:2000820.
   Web of Science ®Google Scholar
• Kubo S, Gu ZZ, Takahashi K, et al. Tunable photonic band gap crystals based on a liquid crystal-infiltrated inverse opal structure. Am Chem Soc. 2004;126:8314–8319.
   PubMed Web of Science ®Google Scholar
• Haakestad MW, Alkeskjold TT, Nielsen MD, et al. Electrically tunable photonic bandgap guidance in a liquid-crystal-filled photonic crystal fiber. IEEE Photonics Technol Lett. 2005;17(4):819–821.
   Web of Science ®Google Scholar
• Balamurugan R, Liu JH. A review of the fabrication of photonic band gap materials based on cholesteric liquid crystals. React Funct Polym. 2016;105:9–34.
   Web of Science ®Google Scholar
• Hagar M, Ahmed HA, Aouad MR. Mesomorphic and DFT diversity of Schiff base derivatives bearing protruded methoxy groups. Liq Cryst. 2020;47:2222–2233.
   PubMed Web of Science ®Google Scholar
• Ahmed HA, Hagar M, Alhaddad OA. Mesomorphic and geometrical orientation study of the relative position of fluorine atom in some thermotropic liquid crystal systems. Liq Cryst. 2019. DOI:https://doi.org/10.1080/02678292.2019.1655809
   Web of Science ®Google Scholar
• Ahmed NHS, Saad GR, Ahmed HA, et al. New wide-stability four-ring azo/ester/Schiff base liquid crystals: synthesis, mesomorphic, photophysical and DFT approaches. RSC Adv. 2020;10:9643.
   PubMed Web of Science ®Google Scholar
• Grinberg I. First-principles studies of band gap engineering in ferroelectric oxides. Isr J Chem. 2020;60:1–11.
   Web of Science ®Google Scholar
• Chikhalkar A, Gangopadhyay A, Liu H, et al. Investigation of Polycrystalline Gan p-n Diodes with Hydrogen-Plasma Based Guard Rings. J Appl Phys. 2020;127:073102
   Web of Science ®Google Scholar
• Wessler GC, Zhu T, Sun JP, et al. Band gap tailoring and structure-composition relationship within the alloyed semiconductor Cu2 BaGe 1–x Sn x Se4. Chem Mater. 2018;30:6566–6574.
   Web of Science ®Google Scholar
• Yang F, Yang L, Ai C, et al. Tailoring bandgap of perovskite BaTiO3 by transition metals co-doping for visible-light photoelectrical applications: a first-principles study. J Nanomater. 2018;8:455.
   Web of Science ®Google Scholar
• Hasegawa H, Kobayashi K, Takahashi Y, et al. Effective band gap tuning by foreign metal doping in hybrid tin iodide perovskites. J Mater Chem C. 2017;5:4048–4052.
   Web of Science ®Google Scholar
• Liu CY, Chen LW. Tunable band gap in a photonic crystal modulated by a nematic liquid crystal. Phys Rev B. 2005;72:045133.
   Web of Science ®Google Scholar
• Hu K, Weng Q, Chen R, et al. Benzoxazole-terminated liquid crystals with high birefringence and large dielectric anisotropy. Liq Cryst. 2020;47:1274–1280.
   PubMed Web of Science ®Google Scholar
• Radka BP, King BE, Mc-Conney ME, et al. Electrically induced splitting of the selective reflection in polymer stabilized cholesteric liquid crystals. J Adv Optical Mater. 2020;8:2000914.
   Web of Science ®Google Scholar
• Gill PMW, Johnson BG, Pople JA. The performance of the Becke-Lee-Yang-Parr (B-LYP) density functional theory with various basis sets. J Chem Phys Lett. 1992;197(45):499–505.
   Web of Science ®Google Scholar
• Roling LT, Scaranto J, Herron JA, et al. Towards first-principles molecular design of liquid crystal-based chemoresponsive systems. Nat Commun. 2016;7:13338.
   PubMed Web of Science ®Google Scholar
• Leung SYL, Wong KMC, Yam VWW. Self-assembly of alkynylplatinum(II) terpyridine amphiphiles into nanostructures via steric control and metal–metal interactions. PNAS. 2016;113:2845–2850.
   PubMed Web of Science ®Google Scholar
• Shabatina TI, Morosov YN. Hybrid nanosystems based on metal-containing mesogenic CyanoAlkyl and alkoxybiphenyls. J.Crystals. 2020;10:77.
   Web of Science ®Google Scholar
• Hatano T, Kato T. A columnar liquid crystal based on triphenylphosphine oxide—its structural changes upon interaction with alkaline metal cations. Chem Commun. 2006;1277–1279. DOI:https://doi.org/10.1039/b514520a
   Web of Science ®Google Scholar
• Sivaranjini B, Mangaiyarkarasi R, Ganesh V, et al. Vertical alignment of liquid crystals over a functionalized flexible substrate. Sci Rep. 2018;8:8891.
   PubMed Web of Science ®Google Scholar
• Kato T, Yoshio M, Ichikawa T, et al. Transport of ions and electrons in nanostructured liquid crystals. Nat Rev Mater. 2017;2:17001.
   Web of Science ®Google Scholar
• Singh SK, Singh B. Metal containing liquid crystalline polymers. In: Thakur VK, Kessler MR, editors. Liquid crystalline polymers, Chapter 18. Springer International Publishing Switzerland; 2016. doi:https://doi.org/10.1007/978-3-319-22894-5_18.
   Google Scholar
• Thanh NTK, Maclean N, Mahiddine S. Mechanisms of nucleation and growth of nanoparticles in solution. J Chem Rev. 2013. DOI:https://doi.org/10.1021/cr400544s
   Web of Science ®Google Scholar
• Woehl TJ. Metal nanocrystal formation during liquid phase transmission electron microscopy: thermodynamics and kinetics of precursor conversion, nucleation, and growth. J Chem Mater. 2020;32:7569–7581.
   Web of Science ®Google Scholar
• Chithambararaj A, Bose AC. Role of synthesis variables on controlled nucleation and growth of hexagonal molybdenum oxide nanocrystals: investigation on thermal and optical properties. J Cryst Eng Comm. 2014;16,6175–6186
   Web of Science ®Google Scholar
• Heffernan C, Ukrainczyk M, Zeglinski J, et al. Influence of structurally related impurities on the crystal nucleation of curcumin. J Cryst Growth Des. 2018;18:4715–4723.
   Web of Science ®Google Scholar
• Sholl DS, Steckel JA. Density functional theory-a practical introduction. Hoboken (New Jersey and Canada): John Wiley & Sons, Inc; 2009.
   Google Scholar
• Gülba Emine Tanı·Ali Antepli HE. Synthesis, characterization, investigation of mesomorphic properties and DFT studies of a new 2,5‑(dimethoxy)‑2‑[[(4‑(dodecyloxy)phenyl) imino]methyl]benzene): a material liquid crystal for optoelectronics. J Mater Sci. 2020;31:15829–15842.
   Web of Science ®Google Scholar
• Nafee SS, Hagar M, Ahmed HA, et al. New two rings Schiff base liquid crystals; ball mill synthesis, mesomorphic, Hammett and DFT studies. J Mol Liq. 2019. DOI:https://doi.org/10.1016/j.molliq.2019.112161.
   Web of Science ®Google Scholar
• Janietz S, Krueger H, Schleiermacher HF, et al. Tailoring of low bandgap polymer and its performance analysis in organic solar cells. J Macromol Chem Phys. 2009;210:1493–1503.
   Web of Science ®Google Scholar
• Thangavel V, Venkataraman B, Prakasan S, et al. Experimental and DFT studies on thermochromism induced binary HBLC mixture. Braz J Phys. 2020;50:39–51.
   Web of Science ®Google Scholar
• Kian R, Zakerhamidi MS, Ranjkesh A, et al. Investigation of the spectroscopic features along with the media polarity effect in some symmetrical disc-shaped liquid crystals. J Mol Liq. 2018. DOI:https://doi.org/10.1016/j.molliq.2020.113226.
   Web of Science ®Google Scholar
• Alecu IM, Zheng J, Zhao Y, et al. Computational thermochemistry: scale factor databases and scale factors for vibrational frequencies obtained from electronic model chemistries. J Chem Theory Comput. 2010;6:2872–2887.
   PubMed Web of Science ®Google Scholar
• Nethercot AH Jr. Molecular dipole moments and electronegativity. J Chem Phys Lett. 1978;59(2):346–350.
   Web of Science ®Google Scholar
• Rohwer EJ, Akbarimoosavi M, Meckel SE, et al. Dipole moment and polarizability of tunable intramolecular charge transfer states in heterocyclic -conjugated molecular dyads determined by computational and stark spectroscopic study. J Phys Chem. 2018. DOI:https://doi.org/10.1021/acs.jpcc.8b02268.
   Web of Science ®Google Scholar
• Sidir YG. The solvatochromism, electronic structure, electric dipole moments and DFT calculations of benzoic acid liquid crystals. Liq Cryst. 2020;47:1435–1451.
   PubMed Web of Science ®Google Scholar
• Atorf B, Funck T, Hegmann T, et al. Liquid crystals and precious metal: from nanoparticle dispersions to functional plasmonic nanostructures. Liq Cryst. 2017;1–19. DOI:https://doi.org/10.1080/02678292.2017.1359692
   Web of Science ®Google Scholar
• Martin JD, Keary C, Thornton TA, et al. Metallotropic liquid crystals formed by surfactant templating of molten metal Halides. J Nat Mater. 2006;5. DOI:https://doi.org/10.1038/nmat1610.
   Web of Science ®Google Scholar
• Singh, AK, Singh, SP. Band-gap-tailoring in liquid crystals: an observation, using DFT Calculations. Presented in 4th International Conference on Soft Materials, MNIT; 2020 Dec 13–18; Jaipur; Singh AK, Singh SP. Hierarchical Arrangement of Quantum Dots and Its Novel Applications in Presence of Liquid Crystal Media. Journal of Cluster Science. 2021, In Communication
   Google Scholar
• Mishra M, Dabrowski RS, Dhar R. Thermodynamical, optical, electrical and electro-optical studies of a room temperature nematic liquid crystal 4-pentyl-4ʹ-cyanobiphenyl dispersed with barium titanate nanoparticles. J Mol Liq. 2016;213:247–254.
   Web of Science ®Google Scholar
• Sharma KP, Malik P, Raina KK. Textural, thermal, optical and electrical properties of Iron nanoparticles dispersed 4′-(Hexyloxy)-4-biphenylcarbonitrile liquid crystal mixture. Liq Cryst. 2017. DOI:https://doi.org/10.1080/02678292.2017.1328747
   Web of Science ®Google Scholar
• Li C, Cui A, Chen F, et al. Preparation and characterization of narrow bandgap ferroelectric (K,Ba)(Ni,Nb)O3-δ films for mesoporous all-oxide solar cells. New J Phys. 2018. in press. DOI:https://doi.org/10.1088/1367-2630/aaf8eb.
   Web of Science ®Google Scholar
• Banwell CN. Fundamentals of molecular spectroscopy. 3rd ed. New Delhi (India): Tata McGraw-Hill; 1988. p. 261–269.
   Google Scholar