Contact and support
Need help, have a question, or want to contact the ResearchHub team?
© 2026 ResearchHub. Built for responsible scholarly connection.
Privacy-aware community infrastructureResearch graph
References from First-Principles Insights into the Interface Chemistry between 4-Aminothiophenol and Zinc Phosphide (Zn3P2) Nanoparticles. Local targets link to admitted publications; unresolved targets remain external evidence.
Optical properties of Zn3P2
10.1063/1.325746 · 1979 · External reference
Photoluminescence-based measurements of the energy gap and diffusion length of Zn3P2
10.1063/1.3225151 · 2009 · External reference
Absorption edge of Zn3P2
10.1103/physrevb.26.4711 · 1982 · External reference
Spectral response measurements of minority-carrier diffusion length in Zn3P2
10.1063/1.326122 · 1979 · External reference
Band alignment of epitaxial ZnS/Zn3P2 heterojunctions
10.1063/1.4759280 · 2012 · External reference
Polycrystalline Zn3P2 Schottky barrier solar cells
10.1063/1.92124 · 1981 · External reference
10.1109/pvsc.2010.5614641
10.1109/pvsc.2010.5614641 · External reference
Energy-band alignment of II-VI/Zn3P2 heterojunctions from x-ray photoemission spectroscopy
10.1063/1.4807646 · 2013 · External reference
Passivation of Zn3P2 substrates by aqueous chemical etching and air oxidation
10.1063/1.4765030 · 2012 · External reference
Structure-sensitive oxidation of the indium phosphide (001) surface
10.1063/1.1471577 · 2002 · External reference
Precursor molecular-oxygen state in the initial catalytic oxidation of the InP(110) surface modified by alkali metals
10.1103/physrevb.37.6496 · 1988 · External reference
Chemical Passivation of Silicon Nanowires with C-1-C-6 Alkyl Chains through Covalent Si-C Bonds
10.1021/jp8077437 · 2008 · External reference
Chemical Surface Passivation of Ge Nanowires
10.1021/ja0465808 · 2004 · External reference
Shape Control of Colloidal Metal Nanocrystals
10.1002/smll.200701295 · 2008 · External reference
Large-scale synthesis and in situ functionalization of Zn3P2 and Zn4Sb3 nanowire powders
10.1039/c3cp50574j · 2013 · External reference
Elucidating the Surface Chemistry of Zinc Phosphide Nanoparticles Through Ligand Exchange
10.1021/cm502234k · 2014 · External reference
of Electron Transport Through Alkanedithoil of Functionalized Zn3P2 Nanowires for Hydrogen Production
10.19070/2167-8685-si01001 · 2016 · External reference
Non-conformal decoration of semiconductor nanowire surfaces with boron nitride (BN) molecules for stability enhancement: degradation-resistant Zn3P2, ZnO and Mg2Si nanowires
10.1039/c4cp01988a · 2014 · External reference
From formation mechanisms to synthetic methods toward shape-controlled oxide nanoparticles
10.1039/c3nr01810e · 2013 · External reference
Chemistry and Properties of Nanocrystals of Different Shapes
10.1021/cr030063a · 2005 · External reference
Surface and shape modification of mackinawite (FeS) nanocrystals by cysteine adsorption: a first-principles DFT-D2 study
10.1039/c6cp05913a · 2016 · External reference
Surface modification, functionalization and bioconjugation of colloidal inorganic nanoparticles
10.1098/rsta.2009.0273 · 2010 · External reference
Adsorption and Desulfurization Mechanism of Thiophene on Layered FeS(001), (011), and (111) Surfaces: A Dispersion-Corrected Density Functional Theory Study
10.1021/acs.jpcc.7b08711 · 2018 · External reference
Adsorption of methylamine on mackinawite (FeS) surfaces: A density functional theory study
10.1063/1.4822040 · 2013 · External reference
On the Question of Speed of Growth and Dissolution of Crystal Surfaces
1901 · External reference
Ab initio molecular dynamics for liquid metals
10.1103/physrevb.47.558 · 1993 · External reference
Ab initio molecular-dynamics simulation of the liquid-metal–amorphous-semiconductor transition in germanium
10.1103/physrevb.49.14251 · 1994 · External reference
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
10.1103/physrevb.54.11169 · 1996 · External reference
Projector augmented-wave method
10.1103/physrevb.50.17953 · 1994 · External reference
From ultrasoft pseudopotentials to the projector augmented-wave method
10.1103/physrevb.59.1758 · 1999 · External reference
Generalized Gradient Approximation Made Simple
10.1103/physrevlett.78.1396 · 1997 · External reference
Generalized Gradient Approximation Made Simple
10.1103/physrevlett.77.3865 · 1996 · External reference
Modeling Adsorption and Reactions of Organic Molecules at Metal Surfaces
10.1021/ar500118y · 2014 · External reference
Effects of van der Waals Interactions in the Adsorption of Isooctane and Ethanol on Fe(100) Surfaces
10.1021/jp503829c · 2014 · External reference
Interaction of Water with a Metal Surface: Importance of van der Waals Forces
10.1103/physrevb.81.115452 · 2010 · 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
Can (Semi)Local Density Functional Theory Account for the London Dispersion Forces?
10.1016/0009-2614(94)01027-7 · 1994 · External reference
Unresolved reference
2011 · External reference
Adsorption of Xe Atoms on Metal Surfaces: New Insights from First-Principles Calculations
10.1103/physrevlett.90.066104 · 2003 · External reference
Perspective: Fifty Years of Density-Functional Theory in Chemical Physics
10.1063/1.4869598 · 2014 · External reference
Special points for Brillouin-zone integrations
10.1103/physrevb.13.5188 · 1976 · External reference
Semiempirical tight-binding band structure of II3V2 semiconductors: Cd3P2, Zn3P2, Cd3As2, and Zn3As2
10.1103/physrevb.50.7331 · 1994 · External reference
Optical, electrical, and photoelectrical properties of sputtered thin amorphous Zn3P2 films
10.1063/1.356613 · 1994 · External reference
Inter-band transitions in Zn3P2
10.1088/0953-8984/2/8/012 · 1990 · External reference
Structure of Zn3P2
10.1007/s10947-005-0067-9 · 2004 · External reference
Influence of the exchange screening parameter on the performance of screened hybrid functionals
10.1063/1.2404663 · 2006 · External reference
The electronic properties of point defects in earth-abundant photovoltaic material Zn3P2: A hybrid functional method study
10.1063/1.4772708 · 2013 · External reference
Low-temperature synthesis of Zn3P2 nanowire
10.1557/jmr.2011.180 · 2011 · External reference
Atomistic simulation of dislocations, surfaces and interfaces in MgO
10.1039/ft9969200433 · 1996 · External reference
The stability of ionic crystal surfaces
10.1088/0022-3719/12/22/036 · 1979 · External reference
Periodic boundary conditions in ab initio calculations
10.1103/physrevb.51.4014 · 1995 · External reference
A grid-based Bader analysis algorithm without lattice bias
10.1088/0953-8984/21/8/084204 · 2009 · External reference
Unresolved reference
1928 · External reference
Effect of caffeic acid adsorption in controlling the morphology of gold nanoparticles: role of surface coverage and functional groups
10.1039/c6cp04122a · 2016 · External reference
a visualization program for molecular and periodic systems
10.1524/zkri.220.5.580.65071 · 2005 · External reference
A computer modelling study of the effect of water on the surface structure and morphology of fluorapatite: introducing a Ca10(PO4)6F2 potential model
10.1039/b204111a · 2002 · External reference
A DFT study of the structures, stabilities and redox behaviour of the major surfaces of magnetite Fe3O4
10.1039/c4cp00529e · 2014 · External reference
Surface atomic structures, surface energies, and equilibrium crystal shape of molybdenum
10.1103/physrevb.57.1875 · 1998 · External reference
Surface Structure and Morphology of Calcium Carbonate Polymorphs Calcite, Aragonite, and Vaterite: An Atomistic Approach
10.1021/jp973210f · 1998 · External reference
DFT Study of Cysteine Adsorption on Au(111)
10.1021/jp0272421 · 2003 · External reference
Adsorption state of dimethyl disulfide on Au(111): Evidence for adsorption as thiolate at the bridge site
10.1063/1.1360245 · 2001 · External reference
Electronic structures of bare and terephthalic acid adsorbed TiO2(110)-(1 × 2) reconstructed surfaces: origin and reactivity of the band gap states
10.1039/c5cp01298h · 2015 · External reference
Influence of Vacancy Defect on Surface Feature and Adsorption of Cs on GaN(0001) Surface
10.1155/2014/490853 · 2014 · External reference
An orbital-overlap model for minimal work functions of cesiated metal surfaces
10.1088/0953-8984/24/44/445007 · 2012 · External reference
Surface energies, work functions, and surface relaxations of low-index metallic surfaces from first principles
10.1103/physrevb.80.235407 · 2009 · External reference
Anisotropy of the Electronic Work Function of Metals
10.1103/physrev.60.661 · 1941 · External reference
A computer modelling study of the incorporation of K+, Ca2+ and Mg2+ impurities in two Na2SO4 polymorphs: Introducing a Na2SO4 potential model
10.1016/j.jcrysgro.2006.05.032 · 2006 · External reference
