Research graph
References from Single Transition-Metal-Anchored γ-Graphyne as a Promising Nonlinear Optical Material: A DFT Investigation. Local targets link to admitted publications; unresolved targets remain external evidence.
Applications of nanolasers
10.1038/s41565-018-0320-y · 2019 · External reference
Organic solid-state lasers: a materials view and future development
10.1039/d0cs00037j · 2020 · External reference
Nonlinear optical properties of 2D materials and their applications
10.1002/smll.202311621 · 2024 · External reference
Electric field effect in atomically thin carbon films
10.1126/science.1102896 · 2004 · External reference
Broadband nonlinear optical response of graphene dispersions
10.1002/adma.200803616 · 2009 · External reference
Emerging 2D materials beyond graphene for ultrashort pulse generation in fiber lasers
10.1039/c8nr09368g · 2019 · External reference
Ultrafast saturable absorption of two-dimensional MoS2 nanosheets
10.1021/nn403886t · 2013 · External reference
Ultrafast nonlinear excitation dynamics of black phosphorus nanosheets from visible to mid-Infrared
10.1021/acsnano.6b02770 · 2016 · External reference
Niobium carbide MXenes with broad-band nonlinear optical response and ultrafast carrier dynamics
10.1021/acsnano.0c04390 · 2020 · External reference
Two-dimensional MXenes: From morphological to optical, electric, and magnetic properties and applications
10.1016/j.physrep.2019.12.006 · 2020 · External reference
Nonlinear optics of two-dimensional transition metal dichalcogenides
10.1002/inf2.12024 · 2019 · External reference
Optical second harmonic generation in anisotropic multilayers with complete multireflection of linear and nonlinear waves using ⧧SHAARP.ml package
10.1038/s41524-024-01229-2 · 2024 · External reference
A donor–nanotube paradigm for nonlinear optical materials
10.1021/nl801388z · 2008 · External reference
Remarkably enhanced first hyperpolarizability and nonlinear refractive index of novel graphdiyne-based materials for promising optoelectronic applications: A first-principles study
10.1016/j.apsusc.2020.145544 · 2020 · External reference
Theoretical study on design of novel superalkalis doped graphdiyne: A new donor–acceptor (D-π-A) strategy for enhancing NLO response
10.1016/j.apsusc.2019.06.221 · 2019 · External reference
Elucidating the potential of nonlinear optical behavior of azo dyes for advanced laser-based technologies
10.1002/adts.202401202 · 2025 · External reference
Modulation of third-order nonlinear optical response in copper-induced gold nanoclusters
10.1021/acs.jpca.5c04139 · 2025 · External reference
Designing of inorganic Al12N12 nanocluster with Fe, Co, Ni, Cu and Zn metals for efficient hydrogen storage materials
10.1142/s2737416521500186 · 2021 · External reference
Insights into the nonlinear optical (NLO) response of pure Aum (2 ≥ m ≤ 7) and copper-doped Aum–xCux clusters
10.1039/d2ra03664a · 2022 · External reference
Investigations of electronic and nonlinear optical properties of single alkali metal adsorbed graphene, graphyne and graphdiyne systems by first-principles calculations
10.1039/c8tc05392h · 2019 · External reference
Terahertz nonlinear optics of graphene: From saturable absorption to high-harmonics generation
10.1002/adom.201900771 · 2020 · External reference
Engineered bio-compatible graphene nanomaterials for nonlinear applications
10.1364/ome.5.000102 · 2015 · External reference
Graphene and its derivatives for laser protection
10.1016/j.pmatsci.2016.09.003 · 2016 · External reference
A graphene hybrid material covalently functionalized with porphyrin: Synthesis and optical limiting property
10.1002/adma.200801617 · 2009 · External reference
One-pot synthesis of gamma-graphyne supported Pd nanoparticles with high catalytic activity
10.1039/d3na00096f · 2023 · External reference
Graphynes and graphdyines
10.1016/j.progsolidstchem.2012.12.001 · 2013 · External reference
First-principles study of structural, elastic and electronic properties of α-, β- and γ-graphyne
10.1016/j.carbon.2015.10.043 · 2016 · External reference
Corner states, energy spectrum and light absorption of γ–graphyne quantum dots
10.1016/j.rinp.2023.106739 · 2023 · External reference
Nitrogen doped γ-Graphyne: A novel anode for high-capacity rechargeable alkali-ion batteries
10.1002/smll.201907365 · 2020 · External reference
Q-switched and vector soliton pulses from an Er-doped fiber laser with high stability based on a γ-graphyne saturable absorber
10.1039/d2nr05737a · 2023 · External reference
Broadband γ-graphyne saturable absorber for Q-switched solid-state laser
10.7567/1882-0786/ab4f49 · 2019 · External reference
Silver cluster doped graphyne (GY) with outstanding non-linear optical properties
10.1039/d1ra08117a · 2022 · External reference
Intramolecular charge transfer for optical applications
10.1063/5.0131426 · 2023 · External reference
Unresolved reference
External reference
VMD: Visual molecular dynamics
10.1016/0263-7855(96)00018-5 · 1996 · External reference
Unresolved reference
External reference
Graph-based internal coordinate analysis for transition state characterization
10.1021/acs.jctc.5c02073 · 2026 · External reference
Density-functional exchange-energy approximation with correct asymptotic behavior
10.1103/physreva.38.3098 · 1988 · External reference
Ab initio calculation of vibrational absorption and circular dichroism spectra using density functional force fields
10.1021/j100096a001 · 1994 · External reference
Energy-adjusted ab initio pseudopotentials for the first row transition elements
10.1063/1.452288 · 1987 · External reference
Ab initio energy-adjusted pseudopotentials for elements of groups 13–17
10.1080/00268979300103121 · 1993 · External reference
Self-consistent molecular-orbital methods. IX. An Extended Gaussian-type basis for molecular-orbital studies of organic molecules
10.1063/1.1674902 · 1971 · External reference
The influence of polarization functions on molecular orbital hydrogenation energies
10.1007/bf00533485 · 1973 · External reference
Self─consistent molecular orbital methods. XII. Further extensions of Gaussian─type basis sets for use in molecular orbital studies of organic molecules
10.1063/1.1677527 · 1972 · External reference
A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
10.1063/1.3382344 · 2010 · External reference
Accurate description of van der Waals complexes by density functional theory including empirical corrections
10.1002/jcc.20078 · 2004 · External reference
A new hybrid exchange–correlation functional using the Coulomb-attenuating method (CAM-B3LYP)
10.1016/j.cplett.2004.06.011 · 2004 · External reference
Property-optimized Gaussian basis sets for molecular response calculations
10.1063/1.3484283 · 2010 · External reference
Multiwfn: A multifunctional wavefunction analyzer
10.1002/jcc.22885 · 2012 · External reference
A comprehensive electron wavefunction analysis toolbox for chemists, Multiwfn
10.1063/5.0216272 · 2024 · External reference
10.1002/9780470143582.ch2
10.1002/9780470143582.ch2 · External reference
Theory of molecular polarizabilities
10.1063/1.1712220 · 1967 · External reference
Problems in the comparison of theoretical and experimental hyperpolarizabilities
10.1063/1.463479 · 1992 · External reference
Calculation of the nonlinear optical properties of molecules
10.1002/jcc.540110110 · 1990 · External reference
Measurements and calculations of the hyperpolarizabilities of atoms and small molecules in the gas phase
10.1021/cr00025a001 · 1994 · External reference
Method for computing the nonlinear refractive index via Keldysh theory
10.1109/jqe.2009.2031599 · 2010 · External reference
Optical nonlinearities of conjugated molecules. Stilbene derivatives and highly polar aromatic compounds
10.1063/1.434888 · 1977 · External reference
Outstanding NLO response of K3O@thia[n]circulenes; a DFT and molecular dynamics perspective
10.1088/1402-4896/acf893 · 2023 · External reference
Strong p-d orbital hybridization on bismuth nanosheets for high performing CO2 electroreduction
10.1002/adma.202309648 · 2024 · External reference
Engineering the electronic structure of TiO2 by transition-metal doping: A first-principles DFT study
10.1063/5.0280646 · 2025 · External reference
Study of nonlinear optical properties of superhalogen and superalkali doped phosphorene
10.1016/j.molstruc.2021.130348 · 2021 · External reference
Atomic polarizability, volume and ionization energy
10.1063/1.1511180 · 2002 · External reference
Influence of alkali metal doping and BN substitution on the second-order nonlinear optical properties of graphyne: A theoretical perspective
10.1021/acs.inorgchem.2c00970 · 2022 · External reference
Scalable synthesis and characterization of multilayer γ-graphyne, new carbon crystals with a small direct band gap
10.1021/jacs.2c06583 · 2022 · External reference
The electronic, magnetic, and optical behaviors of graphyne modulated by metal atoms adsorption: a first-principles study
10.1088/1402-4896/ad61cb · 2024 · External reference
Simple polyphenyl zirconium and hafnium metallocene room-temperature lumophores for cell imaging
10.1021/om400212y · 2013 · External reference
Nonlinear optical properties of Au19M (M = Li, Na, K, Rb, Cs, Cu, Ag) clusters
10.1021/jp207707e · 2012 · External reference
Solvent effects on static polarizability, static first hyperpolarizability and one- and two-photon absorption properties of functionalized triply twisted Möbius annulenes: a DFT study
10.1039/c6cp02732f · 2016 · External reference
Functionalization of γ-graphyne by transition metal adatoms
10.1016/j.carbon.2017.05.028 · 2017 · External reference
Systematic theoretical study of electronic structures and stability of transition-metal-sdsorbed graphdiyne clusters
10.1021/acs.jpcc.8b11572 · 2019 · External reference
10.1002/9780470143582.ch2
10.1002/9780470143582.ch2 · ExternalCitation · doi-reference
A graphene hybrid material covalently functionalized with porphyrin: Synthesis and optical limiting property
10.1002/adma.200801617 · ExternalCitation · doi-reference
Broadband nonlinear optical response of graphene dispersions
10.1002/adma.200803616 · ExternalCitation · doi-reference
Strong p-d orbital hybridization on bismuth nanosheets for high performing CO2 electroreduction
10.1002/adma.202309648 · ExternalCitation · doi-reference
Terahertz nonlinear optics of graphene: From saturable absorption to high-harmonics generation
10.1002/adom.201900771 · ExternalCitation · doi-reference
Elucidating the potential of nonlinear optical behavior of azo dyes for advanced laser-based technologies
10.1002/adts.202401202 · ExternalCitation · doi-reference
Nonlinear optics of two-dimensional transition metal dichalcogenides
10.1002/inf2.12024 · ExternalCitation · doi-reference
Accurate description of van der Waals complexes by density functional theory including empirical corrections
10.1002/jcc.20078 · ExternalCitation · doi-reference
Multiwfn: A multifunctional wavefunction analyzer
10.1002/jcc.22885 · ExternalCitation · doi-reference
Calculation of the nonlinear optical properties of molecules
10.1002/jcc.540110110 · ExternalCitation · doi-reference
Nitrogen doped γ-Graphyne: A novel anode for high-capacity rechargeable alkali-ion batteries
10.1002/smll.201907365 · ExternalCitation · doi-reference
Nonlinear optical properties of 2D materials and their applications
10.1002/smll.202311621 · ExternalCitation · doi-reference
The influence of polarization functions on molecular orbital hydrogenation energies
10.1007/bf00533485 · ExternalCitation · doi-reference
VMD: Visual molecular dynamics
10.1016/0263-7855(96)00018-5 · ExternalCitation · doi-reference
Theoretical study on design of novel superalkalis doped graphdiyne: A new donor–acceptor (D-π-A) strategy for enhancing NLO response
10.1016/j.apsusc.2019.06.221 · ExternalCitation · doi-reference
Remarkably enhanced first hyperpolarizability and nonlinear refractive index of novel graphdiyne-based materials for promising optoelectronic applications: A first-principles study
10.1016/j.apsusc.2020.145544 · ExternalCitation · doi-reference
First-principles study of structural, elastic and electronic properties of α-, β- and γ-graphyne
10.1016/j.carbon.2015.10.043 · ExternalCitation · doi-reference
Functionalization of γ-graphyne by transition metal adatoms
10.1016/j.carbon.2017.05.028 · ExternalCitation · doi-reference
A new hybrid exchange–correlation functional using the Coulomb-attenuating method (CAM-B3LYP)
10.1016/j.cplett.2004.06.011 · ExternalCitation · doi-reference
Study of nonlinear optical properties of superhalogen and superalkali doped phosphorene
10.1016/j.molstruc.2021.130348 · ExternalCitation · doi-reference
Two-dimensional MXenes: From morphological to optical, electric, and magnetic properties and applications
10.1016/j.physrep.2019.12.006 · ExternalCitation · doi-reference
Graphene and its derivatives for laser protection
10.1016/j.pmatsci.2016.09.003 · ExternalCitation · doi-reference
Graphynes and graphdyines
10.1016/j.progsolidstchem.2012.12.001 · ExternalCitation · doi-reference
Corner states, energy spectrum and light absorption of γ–graphyne quantum dots
10.1016/j.rinp.2023.106739 · ExternalCitation · doi-reference
Influence of alkali metal doping and BN substitution on the second-order nonlinear optical properties of graphyne: A theoretical perspective
10.1021/acs.inorgchem.2c00970 · ExternalCitation · doi-reference
Graph-based internal coordinate analysis for transition state characterization
10.1021/acs.jctc.5c02073 · ExternalCitation · doi-reference
Modulation of third-order nonlinear optical response in copper-induced gold nanoclusters
10.1021/acs.jpca.5c04139 · ExternalCitation · doi-reference
Systematic theoretical study of electronic structures and stability of transition-metal-sdsorbed graphdiyne clusters
10.1021/acs.jpcc.8b11572 · ExternalCitation · doi-reference
Niobium carbide MXenes with broad-band nonlinear optical response and ultrafast carrier dynamics
10.1021/acsnano.0c04390 · ExternalCitation · doi-reference
Ultrafast nonlinear excitation dynamics of black phosphorus nanosheets from visible to mid-Infrared
10.1021/acsnano.6b02770 · ExternalCitation · doi-reference
Measurements and calculations of the hyperpolarizabilities of atoms and small molecules in the gas phase
10.1021/cr00025a001 · ExternalCitation · doi-reference
Ab initio calculation of vibrational absorption and circular dichroism spectra using density functional force fields
10.1021/j100096a001 · ExternalCitation · doi-reference
Scalable synthesis and characterization of multilayer γ-graphyne, new carbon crystals with a small direct band gap
10.1021/jacs.2c06583 · ExternalCitation · doi-reference
Nonlinear optical properties of Au19M (M = Li, Na, K, Rb, Cs, Cu, Ag) clusters
10.1021/jp207707e · ExternalCitation · doi-reference
A donor–nanotube paradigm for nonlinear optical materials
10.1021/nl801388z · ExternalCitation · doi-reference
Ultrafast saturable absorption of two-dimensional MoS2 nanosheets
10.1021/nn403886t · ExternalCitation · doi-reference
Simple polyphenyl zirconium and hafnium metallocene room-temperature lumophores for cell imaging
10.1021/om400212y · ExternalCitation · doi-reference
Optical second harmonic generation in anisotropic multilayers with complete multireflection of linear and nonlinear waves using ⧧SHAARP.ml package
10.1038/s41524-024-01229-2 · ExternalCitation · doi-reference
Applications of nanolasers
10.1038/s41565-018-0320-y · ExternalCitation · doi-reference
Solvent effects on static polarizability, static first hyperpolarizability and one- and two-photon absorption properties of functionalized triply twisted Möbius annulenes: a DFT study
10.1039/c6cp02732f · ExternalCitation · doi-reference
Emerging 2D materials beyond graphene for ultrashort pulse generation in fiber lasers
10.1039/c8nr09368g · ExternalCitation · doi-reference
Investigations of electronic and nonlinear optical properties of single alkali metal adsorbed graphene, graphyne and graphdiyne systems by first-principles calculations
10.1039/c8tc05392h · ExternalCitation · doi-reference
Organic solid-state lasers: a materials view and future development
10.1039/d0cs00037j · ExternalCitation · doi-reference
Silver cluster doped graphyne (GY) with outstanding non-linear optical properties
10.1039/d1ra08117a · ExternalCitation · doi-reference
Q-switched and vector soliton pulses from an Er-doped fiber laser with high stability based on a γ-graphyne saturable absorber
10.1039/d2nr05737a · ExternalCitation · doi-reference
Insights into the nonlinear optical (NLO) response of pure Aum (2 ≥ m ≤ 7) and copper-doped Aum–xCux clusters
10.1039/d2ra03664a · ExternalCitation · doi-reference
One-pot synthesis of gamma-graphyne supported Pd nanoparticles with high catalytic activity
10.1039/d3na00096f · ExternalCitation · doi-reference
Atomic polarizability, volume and ionization energy
10.1063/1.1511180 · ExternalCitation · doi-reference
Self-consistent molecular-orbital methods. IX. An Extended Gaussian-type basis for molecular-orbital studies of organic molecules
10.1063/1.1674902 · ExternalCitation · doi-reference
Self─consistent molecular orbital methods. XII. Further extensions of Gaussian─type basis sets for use in molecular orbital studies of organic molecules
10.1063/1.1677527 · ExternalCitation · doi-reference
Theory of molecular polarizabilities
10.1063/1.1712220 · ExternalCitation · doi-reference
A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
10.1063/1.3382344 · ExternalCitation · doi-reference
Property-optimized Gaussian basis sets for molecular response calculations
10.1063/1.3484283 · ExternalCitation · doi-reference
Optical nonlinearities of conjugated molecules. Stilbene derivatives and highly polar aromatic compounds
10.1063/1.434888 · ExternalCitation · doi-reference
Energy-adjusted ab initio pseudopotentials for the first row transition elements
10.1063/1.452288 · ExternalCitation · doi-reference
Problems in the comparison of theoretical and experimental hyperpolarizabilities
10.1063/1.463479 · ExternalCitation · doi-reference
Intramolecular charge transfer for optical applications
10.1063/5.0131426 · ExternalCitation · doi-reference
A comprehensive electron wavefunction analysis toolbox for chemists, Multiwfn
10.1063/5.0216272 · ExternalCitation · doi-reference
Engineering the electronic structure of TiO2 by transition-metal doping: A first-principles DFT study
10.1063/5.0280646 · ExternalCitation · doi-reference
Ab initio energy-adjusted pseudopotentials for elements of groups 13–17
10.1080/00268979300103121 · ExternalCitation · doi-reference
Outstanding NLO response of K3O@thia[n]circulenes; a DFT and molecular dynamics perspective
10.1088/1402-4896/acf893 · ExternalCitation · doi-reference
The electronic, magnetic, and optical behaviors of graphyne modulated by metal atoms adsorption: a first-principles study
10.1088/1402-4896/ad61cb · ExternalCitation · doi-reference
Density-functional exchange-energy approximation with correct asymptotic behavior
10.1103/physreva.38.3098 · ExternalCitation · doi-reference
Method for computing the nonlinear refractive index via Keldysh theory
10.1109/jqe.2009.2031599 · ExternalCitation · doi-reference
Electric field effect in atomically thin carbon films
10.1126/science.1102896 · ExternalCitation · doi-reference
Designing of inorganic Al12N12 nanocluster with Fe, Co, Ni, Cu and Zn metals for efficient hydrogen storage materials
10.1142/s2737416521500186 · ExternalCitation · doi-reference
Engineered bio-compatible graphene nanomaterials for nonlinear applications
10.1364/ome.5.000102 · ExternalCitation · doi-reference
Broadband γ-graphyne saturable absorber for Q-switched solid-state laser
10.7567/1882-0786/ab4f49 · ExternalCitation · doi-reference
