Solid-state chemistry — structural and electronic chemistry of bulk crystalline (and amorphous) materials, distinct from materials-science [L2] at the molecular-level grain. Foundations: crystallography applied at the chemical level — 14…
solid-state-chemistry
Bragg diffraction: n λ = 2 d sin θ (Bragg & Bragg 1913)
Foundational framework of solid-state chemistry: Bragg's law (Bragg & Bragg 1913, Nobel 1915) relates diffraction angles to crystal plane…
Madelung sum: M = Σ_shells (±n_k / r_k) for ionic-solid cohesive energy
Framework for ionic-solid cohesive-energy computation: the Madelung sum M (Madelung 1918) gives the per-ion-pair electrostatic energy of an…
Born-Haber cycle: Hess's law applied to ionic-solid formation enthalpies
Framework for ionic-solid lattice-energy determination: the Born-Haber cycle (Born & Haber 1919) applies Hess's law to the formation of an…
Bragg: n=1, λ=d ⇒ sin θ = 1/2, θ = π/6 (canonical first-order reflection)
Sympy-exact symbolic witness of Bragg's law evaluated at the canonical first-order reflection with λ = d — the textbook anchor for…
NaCl 4-shell partial Madelung sum: -8√3/3 - 3 + 6√2 (sympy canonical)
Sympy-exact symbolic witness of the first four coordination shells of the NaCl Madelung sum. Setup (Na⁺ at origin): Shell 1 — 6 Cl⁻ at…
Born-Haber NaCl: U_lattice = -787 kJ/mol (ΔH_f = -410 closure)
Sympy-exact symbolic witness of the Born-Haber-cycle closure for NaCl: solve for U_lattice from experimental step enthalpies. Inputs…