Pressure effect on ternary phase diagrams: Bi-Sb-Pb as a case study

/pdf/the-levenberg-marquardt-algorithm-implementation-and-theory-u1ziue6l3q.pdf

The Levenberg-Marquardt algorithm: Implementation and theory

Thermodynamic data for the condensed phases of 78 elements as currently used by SGTE (Scientific Group Thermodata Europe) are tabulated. SGTE is a consortium of seven organisations in Western Europe engaged in the compilation of a comprehensive, self consistent and authoritative thermochemical database for inorganic and metallurgical systems. The data are being published here in the hope that they will become widely adopted within the international community as a sound basis for the critical assessment of thermodynamic data, thereby, perhaps, limiting unnecessary duplication of effort. The data for each phase of each element considered aie presented as expressions showing, as a function of temperature, the variation of (a) G-HSER, the Gibbs energy relative to the enthalpy of the “Standard Element Reference” ie the reference phase for the element at 298.15 K and (b) the difference in Gibbs energy between each phase and this reference phase (ie lattice stability). The variation of the heat capacity of the various phases and the Gibbs energy difference between phases are also shown graphically. For certain elements the thermodynamic data have been assessed as a function of pressure as well as temperature. Where appropriate a temperature— pressure phase diagram is also shown.

Throughout this paper the thermodynamic data are expressed in terms of J mol−1. The temperatures of transition between phases have been assessed to be consistent with the 1990 International Temperature Scale (ITS90).

SGTE data for pure elements

The nonlinear least-squares minimization problem is considered. Algorithms for the numerical solution of this problem have been proposed in the past, notably by Levenberg (Quart. Appl. Math., 2, 164-168 (1944)) and Marquardt (SIAM J. Appl. Math., 11, 431-441 (1963)). The present work discusses a robust and efficient implementation of a version of the Levenberg--Marquardt algorithm and shows that it has strong convergence properties. In addition to robustness, the main features of this implementation are the proper use of implicitly scaled variables and the choice of the Levenberg--Marquardt parameter by means of a scheme due to Hebden (AERE Report TP515). Numerical results illustrating the behavior of this implementation are included. 1 table. (RWR)

/pdf/levenberg-marquardt-algorithm-implementation-and-theory-9p7qhokmlq.pdf

Levenberg--Marquardt algorithm: implementation and theory

Chemical thermodynamics of materials

Ternary organic solar cells (TSCs) contain a single three-component photoactive layer with a wide absorption window, which is obtained without the need for multiple stacks. Subsequently, TSCs have attracted great interest in the photovoltaics field. Through careful selection of the three (or more) active components that form the photoactive layer, all photovoltaic parameters can be simultaneously enhanced within a TSC — a strategy that has resulted in record efficiencies for single-junction solar cells. In this Review, we outline key developments in TSCs, with a focus on the central role of the third component in achieving record efficiencies. We analyse the effects of the third component on the nanomorphology of the bulk heterojunction and the photovoltaic parameters of TSCs. Moreover, we discuss the charge-transfer and/or energy-transfer mechanisms and nanomorphology models that govern the operation of TSCs. We consider both polymer and small-molecule donors as well as fullerenes and recently developed non-fullerene acceptors. In addition, we summarize the recent success of TSCs in mitigating the stability issues of binary solar cells. Finally, we provide a perspective on the advantages of ternary blends and suggest design strategies for highly efficient and stable devices for commercial photovoltaics. Adding a third component into a binary blend is a promising strategy for simultaneously improving all photovoltaic parameters in organic solar cells. In this Review, we discuss the role of the third component in influencing the energetics, charge-carrier recombination and stability in ternary solar cells.

/pdf/the-role-of-the-third-component-in-ternary-organic-solar-4vrea2e2vr.pdf

The role of the third component in ternary organic solar cells

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Pressure effect on ternary phase diagrams: Bi-Sb-Pb as a case study

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References

The Levenberg-Marquardt algorithm: Implementation and theory

SGTE data for pure elements

Levenberg--Marquardt algorithm: implementation and theory

Chemical thermodynamics of materials

The role of the third component in ternary organic solar cells