Claudia M. Cardona

Bio: Claudia M. Cardona is an academic researcher from Luna Innovations. The author has contributed to research in topics: Endohedral fullerene & Fullerene. The author has an hindex of 19, co-authored 28 publications receiving 3665 citations. Previous affiliations of Claudia M. Cardona include Clemson University & University of California, Davis.

Electrochemical Considerations for Determining Absolute Frontier Orbital Energy Levels of Conjugated Polymers for Solar Cell Applications

Abstract: Narrow bandgap conjugated polymers in combination with fullerene acceptors are under intense investigation in the field of organic photovoltaics (OPVs). The open circuit voltage, and thereby the power conversion efficiency, of the devices is related to the offset of the frontier orbital energy levels of the donor and acceptor components, which are widely determined by cyclic voltammetry. Inconsistencies have appeared in the use of the ferrocenium/ferrocene (Fc + /Fc) redox couple, as well as the values used for the absolute potentials of standard electrodes, which can complicate the comparison of materials properties and determination of structure/property relationships.

Endohedral fullerenes for organic photovoltaic devices

Abstract: A limiting factor of the power conversion efficiencies of organic photovoltaic devices is low voltage output Methano derivatives of the trimetallic endohedral fullerene Lu3N@C80 have now been synthesized and used as the acceptor in organic photovoltaics The open circuit voltage of the devices is significantly above those made using alternative fullerenes So far, one of the fundamental limitations of organic photovoltaic (OPV) device power conversion efficiencies (PCEs) has been the low voltage output caused by a molecular orbital mismatch between the donor polymer and acceptor molecules Here, we present a means of addressing the low voltage output by introducing novel trimetallic nitride endohedral fullerenes (TNEFs) as acceptor materials for use in photovoltaic devices TNEFs were discovered in 1999 by Stevenson et al 1; for the first time derivatives of the TNEF acceptor, Lu3N@C80, are synthesized and integrated into OPV devices The reduced energy offset of the molecular orbitals of Lu3N@C80 to the donor, poly(3-hexyl)thiophene (P3HT), reduces energy losses in the charge transfer process and increases the open circuit voltage (Voc) to 260 mV above reference devices made with [6,6]-phenyl-C61-butyric methyl ester (C60-PCBM) acceptor PCEs >4% have been observed using P3HT as the donor material This work clears a path towards higher PCEs in OPV devices by demonstrating that high-yield charge separation can occur with OPV systems that have a reduced donor/acceptor lowest unoccupied molecular orbital energy offset

Unexpected chemical and electrochemical properties of M3N@C80 (M = Sc, Y, Er).

Abstract: The unexpected isomerization of N-ethyl [6,6]-pyrrolidino-Y3N@C80 to the [5,6] regioisomer is reported, as well as the synthesis, characterization, and electrochemical analysis of Er3N@C80 derivatives. A complete electrochemical study of the M3N@C80 species (M = Sc, Y, Er) and their derivatives is presented. We introduce electrochemistry as a new tool in the characterization of the [5,6] and [6,6] regioisomers of trimetallic nitride endohedral metallofullerenes.

Trimetallic nitride endohedral metallofullerenes: reactivity dictated by the encapsulated metal cluster.

Abstract: The first derivatives of Y3N@C80 have been synthesized and fully characterized. 1,3-Dipolar cycloaddition of N-ethylazomethine ylide yielded mainly the pyrrolidine monoadduct of the icosahedral (Ih) symmetry cage exclusively at a [6,6] double bond. The same regioselectivity on a [6,6] double bond was observed when the endohedral compound was cyclopropanated with diethyl bromomalonate. These results are in pronounced contrast to those observed for icosahedral symmetry Sc3N@C80, for which all reported derivatives add completely regioselectively to [5,6] double bonds. 1H NMR, 13C NMR, and HMQC spectroscopy revealed that the addition pattern on Y3N@C80 resulted in a pyrrolidinofullerene derivative with unsymmetric pyrrolidine carbons and symmetric geminal protons. The cyclopropanated monoadduct exhibited symmetric ethyl groups on the malonate, consistent with regioselective addition at a [6,6] double bond. Attempts to perform the same cyclopropanation reaction on (Ih) Sc3N@C80 failed to yield any identifiable...

Polymer solar cells

Abstract: This Review summarizes recent progress in the development of polymer solar cells. It covers the scientific origins and basic properties of polymer solar cell technology, material requirements and device operation mechanisms, while also providing a synopsis of major achievements in the field over the past few years. Potential future developments and the applications of this technology are also briefly discussed.

Polymer‐Fullerene Bulk‐Heterojunction Solar Cells

Abstract: Solution-processed bulk-heterojunction solar cells have gained serious attention during the last few years and are becoming established as one of the future photovoltaic technologies for low-cost power production. This article reviews the highlights of the last few years, and summarizes today's state-of-the-art performance. An outlook is given on relevant future materials and technologies that have the potential to guide this young photovoltaic technology towards the magic 10% regime. A cost model supplements the technical discussions, with practical aspects any photovoltaic technology needs to fulfil, and answers to the question as to whether low module costs can compensate lower lifetimes and performances.

Gold-Catalyzed Organic Reactions

Abstract: Although homogeneous gold catalysis was known previously, an exponential growth was only induced 12 years ago. The key findings which induce that rise of the field are discussed. This includes early reactions of allenes and furanynes and intermediates of these conversions as well as hydroarylation reactions. Other substrate types addressed are alkynyl epoxides and N-propargyl carboxamides. Important vinylgold intermediates, the transmetalation from gold to other transition metals, the development of new ligands for gold catalysis, and significant contributions from computational chemistry are other crucial points for the field highlighted here.

Small molecule semiconductors for high-efficiency organic photovoltaics

Abstract: Organic photovoltaic cells (OPVs) are a promising cost-effective alternative to silicon-based solar cells, and possess light-weight, low-cost, and flexibility advantages. Significant progress has been achieved in the development of novel photovoltaic materials and device structures in the last decade. Nowadays small molecular semiconductors for OPVs have attracted considerable attention, due to their advantages over their polymer counterparts, including well-defined molecular structure, definite molecular weight, and high purity without batch to batch variations. The highest power conversion efficiencies of OPVs based on small molecular donor/fullerene acceptors or polymeric donor/fullerene acceptors are up to 6.7% and 8.3%, respectively, and meanwhile nonfullerene acceptors have also exhibited some promising results. In this review we summarize the developments in small molecular donors, acceptors (fullerene derivatives and nonfullerene molecules), and donor–acceptor dyad systems for high-performance multilayer, bulk heterojunction, and single-component OPVs. We focus on correlations of molecular chemical structures with properties, such as absorption, energy levels, charge mobilities, and photovoltaic performances. This structure–property relationship analysis may guide rational structural design and evaluation of photovoltaic materials (253 references).

Rational Design of High Performance Conjugated Polymers for Organic Solar Cells

Abstract: The research on the polymer-based solar cells (PSCs) has attracted an increasing amount of attention in recent years because PSCs pose potential advantages over mainstream inorganic-based solar cells, such as significantly reduced material/fabrication costs, flexible substrates, and light weight of finished solar cells. The research community has made great progress in the field of bulk heterojunction (BHJ) polymer solar cells since its inception in 1995. The power conversion efficiency (PCE), a key parameter to assess the performance of solar cells, has increased from 1% in the 1990s to over 8% just recently. These great advances are mainly fueled by the development of conjugated polymers used as the electron-donating materials in BHJ solar cells. In this Perspective, we first briefly review the progress on the design of conjugated polymers for polymer solar cells in the past 16 years. Since a conjugated polymer can be arbitrarily divided into three constituting components—the conjugated backbone, the si...