@article{18707,
  abstract     = {Lead Sulfide (PbS) has garnered attention as a promising thermoelectric (TE) material due to its natural abundance and cost-effectiveness. However, its practical application is hindered by inherently high lattice thermal conductivity and low electrical conductivity. In this study, we address these challenges by surface functionalization of PbS nanocrystals using Cu2S molecular complexes-based ligand displacement. The molecular complexes facilitate the incorporation of Cu into the PbS matrix and leads to the formation of nanoscale defects, dislocations, and strain fields while optimizing the charge carrier transport. The structural modulations enhance the phonon scattering and lead to a significant reduction in lattice thermal conductivity of 0.60 W m−1K−1 at 867 K in the PbS-Cu2S system. Simultaneously, the Cu incorporation improves electrical conductivity by increasing both carrier concentration and mobility with carefully optimized the content of Cu2S molecular complexes. These synergistic modifications yield a peak figure-of-merit (zT) of 1.05 at 867 K for the PbS-1.0 %Cu2S sample, representing an almost twofold enhancement in TE performance compared to pristine PbS. This work highlights the effectiveness of surface treatment in overcoming the intrinsic limitations of PbS-based materials and presents a promising strategy for the development of high-efficiency TE systems.},
  author       = {Shu, Haibo and Zhao, Mingjun and Lu, Shaoqing and Wan, Shanhong and Genç, Aziz and Huang, Lulu and Ibáñez, Maria and Lim, Khak Ho and Hong, Min and Liu, Yu},
  issn         = {1095-7103},
  journal      = {Journal of Colloid and Interface Science},
  pages        = {703--712},
  publisher    = {Elsevier},
  title        = {{Influence of surface engineering on the transport properties of lead sulfide nanomaterials}},
  doi          = {10.1016/j.jcis.2024.12.067},
  volume       = {683},
  year         = {2025},
}

@article{18558,
  abstract     = {The current investigation presents a facile and cost-effective sol-gel approach for the synthesis of phase-pure multiferroic bismuth ferrite (BiFeO3) nanoparticles (BFO NPs) by using propylene glycol as a complexing agent, intended for use as a photocatalyst to efficiently degrade organic dyes in aqueous solutions under natural sunlight. Characterization techniques, including thermogravimetric analysis (TGA), Fourier transform infrared spectroscopy (FT-IR), and X-ray diffraction (XRD), elucidated a plausible reaction pathway for the formation of phase-pure BFO NPs. Rietveld refinement of the XRD data, in conjunction with transmission electron microscopy (TEM) and Raman spectroscopy, confirmed the synthesis of single-phase BFO NPs at 400 °C, displaying a space group of R3c and an average crystallite size of 25 nm. UV–visible diffuse reflectance spectroscopy revealed an absorption cut-off wavelength near 590 nm, corresponding to a band gap of 2.08 eV, indicating the capability of BFO NPs to absorb visible light within the 400–590 nm range. BFO NPs have shown efficient and rapid photocatalytic degradation of methylene blue (MB) in acidic, neutral, and basic pH conditions under natural sunlight. This is attributed to the intrinsic ferroelectric and ferromagnetic ordering present in synthesized BFO NPs which facilitates the separation and migration of photoinduced charges through band bending phenomena at the interface.},
  author       = {Verma, Madhu and Kumar, Ajay and Thakur, Vijay Kumar and Maurya, Akanksha and Kumar, Sachin and Singh, Saurabh and Srivastav, Simant Kumar},
  issn         = {1573-4846},
  journal      = {Journal of Sol-Gel Science and Technology},
  pages        = {356--373},
  publisher    = {Springer Nature},
  title        = {{Efficient and rapid sunlight-driven photocatalytic degradation of methylene blue dye using multiferroic BiFeO3 nanoparticles}},
  doi          = {10.1007/s10971-024-06607-2},
  volume       = {113},
  year         = {2025},
}

@article{18701,
  abstract     = {We developed in-situ engineered polycrystalline polythiophene (PTh) and its composite with reduced graphene oxide (PTh-rGO) via a simple chemical synthesis. The PTh-rGO-based electrodes in a symmetrical device with xanthan gum in 1 M aq. Na2SO4 as an electrolyte, delivers a specific capacitance (Csp) of 114.7 F g–1 (electrode) and 28.7 F g–1 (cell) at an applied current density of 0.2 A g−1. The maximum energy and power densities recorded from the device were 588.0 mWh kg−1 and 1.1 kW kg−1 at 1.5 A g−1. The device exhibited a remarkable retention of Csp of 98.9 % over 10,000 continuous galvanostatic charge–discharge cycles highlighting an excellent performance. Electrochemical impedance spectroscopy analysis emphasizes material’s excellent structural integrity. This is attributed to the crystalline phases present in the matrix.},
  author       = {Mahato, Neelima and Singh, Saurabh and Sreekanth, T. V.M. and Yoo, Kisoo and Kim, Jonghoon},
  issn         = {1873-4979},
  journal      = {Materials Letters},
  publisher    = {Elsevier},
  title        = {{In-situ engineered highly-crystalline Polythiophene empowered electrochemical capacitor-II: Anomalous electrochemical charge storage behavior of Polythiophene-rGO composite}},
  doi          = {10.1016/j.matlet.2024.137869},
  volume       = {382},
  year         = {2025},
}

@phdthesis{20415,
  abstract     = {Well-defined powder precursors are important for the rational design of crystalline inorganic 
materials with controlled defects and functional properties. Such powders can be prepared from 
dried nanoparticles synthesized using a surfactant-assisted/colloidal method that provides 
precise control over size, shape, composition, and surface chemistry of nanoparticles. These 
tailored nanoparticles further act as building blocks for three-dimensional assemblies, 
exhibiting collective nanoscale properties and enabling tailored microstructures of crystalline 
inorganic materials. However, the programmable engineering of such materials using 
nanoparticle-based precursors remains limited, due to a lack of fundamental understanding of 
both the synthesis of nanoparticles and their conversion into macroscopic solids. Furthermore, 
the formation of three-dimensional assemblies often requires multi-step post-synthetic 
treatments, which can limit reproducibility and the production of the bulk inorganic materials. 
In this thesis, I demonstrate a key synthetic parameter governing the formation of desired 
nanostructures, especially metal/semiconductor core–shell nanoparticles which are potential 
precursors for engineering composition, crystal structure, and defects of final materials. Then, 
I investigate their transformative pathways to unveil structural and chemical changes that occur 
during heat treatment of the nanoparticle-based precursors. Building on understanding of 
atomic-scale interactions during nanoparticle-based precursor formation, I further demonstrate 
the possibility of synthesizing the nanoparticle assembly directly in the nanoparticle synthesis 
reaction and rationalize the process of in situ self-assembly of nanoparticles. Finally, the impact 
of NP-based precursors on the formation and properties of crystalline inorganic materials is 
evaluated, demonstrating the potential of employing NP-based precursors for the rational 
design of functional inorganic materials. },
  author       = {Lee, Seungho},
  issn         = {2663-337X},
  pages        = {144},
  publisher    = {Institute of Science and Technology Austria},
  title        = {{Nanoparticle-based precursors toward advanced crystalline inorganic solids}},
  doi          = {10.15479/AT-ISTA-20415},
  year         = {2025},
}

@misc{20057,
  abstract     = {In article number 2305128, Qing Sun, Shang Wang, Yanhong Tian, Andreu Cabot, and co-workers report an investigation of the energy-storage mechanism of a layered Bi2Te3-based cathode for aqueous zinc-ion batteries (ZIBs). They demonstrate that the zinc ion is not inserted into the cathode as previously assumed; in contrast, proton charge-storage dominates the process. They also demonstrate the great application prospects of aqueous ZIBs in flexible electronics via jet printing technology.},
  author       = {Zeng, Guifang and Sun, Qing and Horta, Sharona and Wang, Shang and Lu, Xuan and Zhang, Chao Yue and Li, Jing and Li, Junshan and Ci, Lijie and Tian, Yanhong and Ibáñez, Maria and Cabot, Andreu},
  booktitle    = {Advanced Materials},
  issn         = {1521-4095},
  number       = {1},
  publisher    = {Wiley},
  title        = {{A layered Bi2Te3@PPy cathode for aqueous Zinc‐Ion batteries: Mechanism and application in printed flexible batteries}},
  doi          = {10.1002/adma.202470004},
  volume       = {36},
  year         = {2024},
}

@article{13093,
  abstract     = {The direct, solid state, and reversible conversion between heat and electricity using thermoelectric devices finds numerous potential uses, especially around room temperature. However, the relatively high material processing cost limits their real applications. Silver selenide (Ag2Se) is one of the very few n-type thermoelectric (TE) materials for room-temperature applications. Herein, we report a room temperature, fast, and aqueous-phase synthesis approach to produce Ag2Se, which can be extended to other metal chalcogenides. These materials reach TE figures of merit (zT) of up to 0.76 at 380 K. To improve these values, bismuth sulfide (Bi2S3) particles also prepared in an aqueous solution are incorporated into the Ag2Se matrix. In this way, a series of Ag2Se/Bi2S3 composites with Bi2S3 wt % of 0.5, 1.0, and 1.5 are prepared by solution blending and hot-press sintering. The presence of Bi2S3 significantly improves the Seebeck coefficient and power factor while at the same time decreasing the thermal conductivity with no apparent drop in electrical conductivity. Thus, a maximum zT value of 0.96 is achieved in the composites with 1.0 wt % Bi2S3 at 370 K. Furthermore, a high average zT value (zTave) of 0.93 in the 300–390 K range is demonstrated.},
  author       = {Nan, Bingfei and Li, Mengyao and Zhang, Yu and Xiao, Ke and Lim, Khak Ho and Chang, Cheng and Han, Xu and Zuo, Yong and Li, Junshan and Arbiol, Jordi and Llorca, Jordi and Ibáñez, Maria and Cabot, Andreu},
  issn         = {2637-6113},
  journal      = {ACS Applied Electronic Materials},
  number       = {5},
  pages        = {2807--215},
  publisher    = {American Chemical Society},
  title        = {{Engineering of thermoelectric composites based on silver selenide in aqueous solution and ambient temperature}},
  doi          = {10.1021/acsaelm.3c00055},
  volume       = {6},
  year         = {2024},
}

@article{17124,
  abstract     = {In recent years, solution processes have gained considerable traction as a cost-effective and scalable method to produce high-performance thermoelectric materials. The process entails a series of critical steps: synthesis, purification, thermal treatments, and consolidation, each playing a pivotal role in determining performance, stability, and reproducibility. We have noticed a need for more comprehensive details for each of the described steps in most published works. Recognizing the significance of detailed synthetic protocols, we describe here the approach used to synthesize and characterize one of the highest-performing polycrystalline p-type SnSe. In particular, we report the synthesis of SnSe particles in water and the subsequent surface treatment with CdSe molecular complexes that yields CdSe-SnSe nanocomposites upon consolidation. Moreover, the surface treatment inhibits grain growth through Zenner pinning of secondary phase CdSe nanoparticles and enhances defect formation at different length scales. The enhanced complexity in the CdSe-SnSe nanocomposite microstructure with respect to SnSe promotes phonon scattering and thereby significantly reduces the thermal conductivity. Such surface engineering provides opportunities in solution processing for introducing and controlling defects, making it possible to optimize the transport properties and attain a high thermoelectric figure of merit.},
  author       = {Fiedler, Christine and Liu, Yu and Ibáñez, Maria},
  issn         = {1940-087X},
  journal      = {Journal of Visualized Experiments},
  number       = {207},
  publisher    = {MyJove Corporation},
  title        = {{Solution-processed, surface-engineered, polycrystalline CdSe-SnSe exhibiting low thermal conductivity}},
  doi          = {10.3791/66278},
  volume       = {2024},
  year         = {2024},
}

@article{14435,
  abstract     = {Low‐cost, safe, and environmental‐friendly rechargeable aqueous zinc‐ion batteries (ZIBs) are promising as next‐generation energy storage devices for wearable electronics among other applications. However, sluggish ionic transport kinetics and the unstable electrode structure during ionic insertion/extraction hampers their deployment. Herein,  we propose a new cathode material based on a layered metal chalcogenide (LMC), bismuth telluride (Bi<jats:sub>2</jats:sub>Te<jats:sub>3</jats:sub>), coated with polypyrrole (PPy). Taking advantage of the PPy coating, the Bi<jats:sub>2</jats:sub>Te<jats:sub>3</jats:sub>@PPy composite presents strong ionic absorption affinity, high oxidation resistance, and high structural stability. The ZIBs based on Bi<jats:sub>2</jats:sub>Te<jats:sub>3</jats:sub>@PPy cathodes exhibit high capacities and ultra‐long lifespans of over 5000 cycles. They also present outstanding stability even under bending. In addition,  we analyze here the reaction mechanism using in situ X‐ray diffraction, X‐ray photoelectron spectroscopy, and computational tools and demonstrate that, in the aqueous system, Zn<jats:sup>2+</jats:sup> is not inserted into the cathode as previously assumed. In contrast, proton charge storage dominates the process. Overall, this work not only shows the great potential of LMCs as ZIBs cathode materials and the advantages of PPy coating, but also clarifies the charge/discharge mechanism in rechargeable ZIBs based on LMCs.},
  author       = {Zeng, Guifang and Sun, Qing and Horta, Sharona and Wang, Shang and Lu, Xuan and Zhang, Chaoyue and Li, Jing and Li, Junshan and Ci, Lijie and Tian, Yanhong and Ibáñez, Maria and Cabot, Andreu},
  issn         = {1521-4095},
  journal      = {Advanced Materials},
  keywords     = {Mechanical Engineering, Mechanics of Materials, General Materials Science},
  number       = {1},
  publisher    = {Wiley},
  title        = {{A layered Bi2Te3@PPy cathode for aqueous zinc ion batteries: Mechanism and application in printed flexible batteries}},
  doi          = {10.1002/adma.202305128},
  volume       = {36},
  year         = {2024},
}

@article{14828,
  abstract     = {Production of hydrogen at large scale requires development of non-noble, inexpensive, and high-performing catalysts for constructing water-splitting devices. Herein, we report the synthesis of Zn-doped NiO heterostructure (ZnNiO) catalysts at room temperature via a coprecipitation method followed by drying (at 80 °C, 6 h) and calcination at an elevated temperature of 400 °C for 5 h under three distinct conditions, namely, air, N2, and vacuum. The vacuum-synthesized catalyst demonstrates a low overpotential of 88 mV at −10 mA cm–2 and a small Tafel slope of 73 mV dec–1 suggesting relatively higher charge transfer kinetics for hydrogen evolution reactions (HER) compared with the specimens synthesized under N2 or O2 atmosphere. It also demonstrates an oxygen evolution (OER) overpotential of 260 mV at 10 mA cm–2 with a low Tafel slope of 63 mV dec–1. In a full-cell water-splitting device, the vacuum-synthesized ZnNiO heterostructure demonstrates a cell voltage of 1.94 V at 50 mA cm–2 and shows remarkable stability over 24 h at a high current density of 100 mA cm–2. It is also demonstrated in this study that Zn-doping, surface, and interface engineering in transition-metal oxides play a crucial role in efficient electrocatalytic water splitting. Also, the results obtained from density functional theory (DFT + U = 0–8 eV), where U is the on-site Coulomb repulsion parameter also known as Hubbard U, based electronic structure calculations confirm that Zn doping constructively modifies the electronic structure, in both the valence band and the conduction band, and found to be suitable in tailoring the carrier’s effective masses of electrons and holes. The decrease in electron’s effective masses together with large differences between the effective masses of electrons and holes is noticed, which is found to be mainly responsible for achieving the best water-splitting performance from a 9% Zn-doped NiO sample prepared under vacuum.},
  author       = {Kiran, Gundegowda Kalligowdanadoddi and Singh, Saurabh and Mahato, Neelima and Sreekanth, Thupakula Venkata Madhukar and Dillip, Gowra Raghupathy and Yoo, Kisoo and Kim, Jonghoon},
  issn         = {2574-0962},
  journal      = {ACS Applied Energy Materials},
  keywords     = {Electrical and Electronic Engineering, Materials Chemistry, Electrochemistry, Energy Engineering and Power Technology, Chemical Engineering (miscellaneous)},
  number       = {1},
  pages        = {214--229},
  publisher    = {American Chemical Society},
  title        = {{Interface engineering modulation combined with electronic structure modification of Zn-doped NiO heterostructure for efficient water-splitting activity}},
  doi          = {10.1021/acsaem.3c02519},
  volume       = {7},
  year         = {2024},
}

@article{15114,
  abstract     = {As a key liquid organic hydrogen carrier, investigating the decomposition of formic acid (HCOOH) on the Pd (1 1 1) transition metal surface is imperative for harnessing hydrogen energy. Despite a multitude of studies, the major mechanisms and key intermediates involved in the dehydrogenation process of formic acid remain a great topic of debate due to ambiguous adsorbate interactions. In this research, we develop an advanced microkinetic model based on first-principles calculations, accounting for adsorbate–adsorbate interactions. Our study unveils a comprehensive mechanism for the Pd (1 1 1) surface, highlighting the significance of coverage effects in formic acid dehydrogenation. Our findings unequivocally demonstrate that H coverage on the Pd (1 1 1) surface renders formic acid more susceptible to decompose into H2 and CO2 through COOH intermediates. Consistent with experimental results, the selectivity of H2 in the decomposition of formic acid on the Pd (1 1 1) surface approaches 100 %. Considering the influence of H coverage, our kinetic analysis aligns perfectly with experimental values at a temperature of 373 K.},
  author       = {Yao, Zihao and Liu, Xu and Bunting, Rhys and Wang, Jianguo},
  issn         = {0009-2509},
  journal      = {Chemical Engineering Science},
  publisher    = {Elsevier},
  title        = {{Unravelling the reaction mechanism for H2 production via formic acid decomposition over Pd: Coverage-dependent microkinetic modeling}},
  doi          = {10.1016/j.ces.2024.119959},
  volume       = {291},
  year         = {2024},
}

@article{14652,
  abstract     = {In order to demonstrate the stability of newly proposed iridium-based Ir2Cr(In,Sn) and IrRhCr(In,Sn) heusler alloys, we present ab-initio analysis of these alloys by examining various properties to prove their stability. The stability of these alloys can be inferred from different cohesive and formation energies as well as positive phonon frequencies. Their electronic structure results indicate that they are semi-metals in nature. The magnetic moments are computed using the Slater-Pauling formula and exhibit a high value, with the Cr atom contributing the most in all alloys. Mulliken’s charge analysis results show that our alloys contain a range of linkages, mainly ionic and covalent ones. The ductility and mechanical stability of these alloys are confirmed by elastic constants viz. Poisson’s ratio, Pugh’s ratio, and many different types of elastic moduli.},
  author       = {Gupta, Shyam Lal and Singh, Saurabh and Kumar, Sumit and Anupam, Unknown and Thakur, Samjeet Singh and Kumar, Ashish and Panwar, Sanjay and Diwaker, D.},
  issn         = {0921-4526},
  journal      = {Physica B: Condensed Matter},
  number       = {2},
  publisher    = {Elsevier},
  title        = {{Ab-initio stability of Iridium based newly proposed full and quaternary heusler alloys}},
  doi          = {10.1016/j.physb.2023.415539},
  volume       = {674},
  year         = {2024},
}

@article{17052,
  abstract     = {Production of thermoelectric materials from solution-processed particles involves the synthesis of particles, their purification and densification into pelletized material. Chemical changes that occur during each one of these steps render them performance determining. Particularly the purification steps, bypassed in conventional solid-state synthesis, are the cause for large discrepancies among similar solution-processed materials. In present work, the investigation focuses on a water-based surfactant free solution synthesis of SnSe, a highly relevant thermoelectric material. We show and rationalize that the number of leaching steps, purification solvent, annealing, and annealing atmosphere have significant influence on the Sn : Se ratio and impurity content in the powder. Such compositional changes that are undetectable by conventional characterization techniques lead to distinct consolidated materials with different types and concentration of defects. Additionally, the profound effect on their transport properties is demonstrated. We emphasize that understanding the chemistry and identifying key chemical species and their role throughout the process is paramount for optimizing material performance. Furthermore, we aim to demonstrate the necessity of comprehensive reporting of these steps as a standard practice to ensure material reproducibility.},
  author       = {Fiedler, Christine and Calcabrini, Mariano and Liu, Yu and Ibáñez, Maria},
  issn         = {1521-3773},
  journal      = {Angewandte Chemie International Edition},
  number       = {25},
  publisher    = {Wiley},
  title        = {{Unveiling crucial chemical processing parameters influencing the performance of solution-processed inorganic thermoelectric materials}},
  doi          = {10.1002/anie.202402628},
  volume       = {63},
  year         = {2024},
}

@article{14734,
  abstract     = {Developing cost-effective and high-performance thermoelectric (TE) materials to assemble efficient TE devices presents a multitude of challenges and opportunities. Cu3SbSe4 is a promising p-type TE material based on relatively earth abundant elements. However, the challenge lies in its poor electrical conductivity. Herein, an efficient and scalable solution-based approach is developed to synthesize high-quality Cu3SbSe4 nanocrystals doped with Pb at the Sb site. After ligand displacement and annealing treatments, the dried powders are consolidated into dense pellets, and their TE properties are investigated. Pb doping effectively increases the charge carrier concentration, resulting in a significant increase in electrical conductivity, while the Seebeck coefficients remain consistently high. The calculated band structure shows that Pb doping induces band convergence, thereby increasing the effective mass. Furthermore, the large ionic radius of Pb2+ results in the generation of additional point and plane defects and interphases, dramatically enhancing phonon scattering, which significantly decreases the lattice thermal conductivity at high temperatures. Overall, a maximum figure of merit (zTmax) ≈ 0.85 at 653 K is obtained in Cu3Sb0.97Pb0.03Se4. This represents a 1.6-fold increase compared to the undoped sample and exceeds most doped Cu3SbSe4-based materials produced by solid-state, demonstrating advantages of versatility and cost-effectiveness using a solution-based technology.},
  author       = {Wan, Shanhong and Xiao, Shanshan and Li, Mingquan and Wang, Xin and Lim, Khak Ho and Hong, Min and Ibáñez, Maria and Cabot, Andreu and Liu, Yu},
  issn         = {2366-9608},
  journal      = {Small Methods},
  number       = {8},
  publisher    = {Wiley},
  title        = {{Band engineering through Pb-doping of nanocrystal building blocks to enhance thermoelectric performance in Cu3SbSe4}},
  doi          = {10.1002/smtd.202301377},
  volume       = {8},
  year         = {2024},
}

@article{15314,
  abstract     = {Development of electroactive materials exhibiting high performance with superior stability is crucial in the field of supercapacitors and battery research. We report on synthesis of highly stable composite of semi-polycrystalline polyaniline and graphene (SPani-graphene) and its application in supercapacitor electrodes. The electrochemical behavior and device performance of the electrodes were investigated through cyclic voltammetry (CV), galvanostatic charge-discharge GCD) and electrochemical impedance spectroscopy (EIS) in a 3-electrode and a 2-electrode (device) cell configurations, repectively. The cell specific capacitance (Cell Csp) achieved from the 2-electrode symmetric cell configuration was 525.5 F g−1 at 0.1 A g−1 using polymer gel electrolyte (PGE). The PGE in this work is xanthan gum jellied in 1 M aq. Na2SO4. The maximum energy density and power density achieved from the device was 46.7 Wh kg−1 and 16.16 kW kg−1, respectively, at 0.4 A g−1. Furthermore, the device exhibits an excellent retention of cell specific capacitance and coulombic efficiency of 97 % and 94 %, respectively, over 10,000 continuous GCD cycles, indicating an excellent rate capability as well as a promising power management. To investigate the material's electrochemical durability, a detailed EIS study has been carried out using both, 3-electrode, and 2-electrode cell configurations, before and after long cycling test (over 10,000 continuous GCD cycles). Our thorough experimentation delivers satisfactory results and has been explained in detail in the manuscript. Hereby, we propose that the EIS technique can be adopted for investigating materials' electrochemical stability, in addition to long CV and GCD cycles in the field of supercapacitors and battery research.},
  author       = {Mahato, Neelima and Singh, Saurabh and Sreekanth, T. V.M. and Yoo, Kisoo and Kim, Jonghoon},
  issn         = {2352-152X},
  journal      = {Journal of Energy Storage},
  publisher    = {Elsevier},
  title        = {{Polycrystalline phases engineered in-situ in polyaniline-graphene composite evoluting an exceptional stability and high charge storage capacity: An EIS investigative approach to evaluate material's stability}},
  doi          = {10.1016/j.est.2024.111464},
  volume       = {88},
  year         = {2024},
}

@article{15166,
  abstract     = {Reducing defects boosts room-temperature performance of a thermoelectric device},
  author       = {Navita, Navita and Ibáñez, Maria},
  issn         = {1095-9203},
  journal      = {Science},
  number       = {6688},
  pages        = {1184},
  publisher    = {American Association for the Advancement of Science},
  title        = {{Electron highways are cooler}},
  doi          = {10.1126/science.ado4077},
  volume       = {383},
  year         = {2024},
}

@article{17412,
  abstract     = {The electroreduction of biomass-derived benzaldehyde (BZH) provides a potentially cost-effective route to produce benzyl alcohol (BA). This reaction competes with the electrochemical self-coupling of BZH to hydrobenzoin (HDB), which holds significance as a biofuel. Herein, we demonstrate the selectivity towards one or the other product strongly depends on the surface chemistry of the catalyst, specifically on its ability to adsorb hydrogen, as showcased with Cu2S electrocatalysts. We particularly analyze the effect of surface ligands, oleylamine (OAm), on the selective conversion of BZH to BA or HDB. The effect of the electrode potential, electrolyte pH, and temperature are studied. Results indicate that bare Cu2S exhibits higher selectivity towards BA, while OAm-capped Cu2S promotes HDB formation. This difference is explained by the competing adsorption of protons and BZH. During the BZH electrochemical conversion, electrons first transfer to the C in the C[double bond, length as m-dash]O group to form a ketyl radical. Then the radical either couples with surrounding H+ to form BA or self-couple to produce HDB, depending on the H+ availability that is affected by the electrocatalyst surface properties. The presence of OAm inhibits the H adsorption on the electrode surface therefore reducing the formation of high-energy state Had and its combination with ketyl radicals to form BA. Instead, the presence of OAm promotes the outer sphere reaction for obtaining HDB.},
  author       = {Gong, Li and Zhao, Shiling and Yu, Jing and Li, Junshan and Arbiol, Jordi and Kallio, Tanja and Calcabrini, Mariano and Martínez-Alanis, Paulina R. and Ibáñez, Maria and Cabot, Andreu},
  issn         = {2753-1457},
  journal      = {Energy Advances},
  number       = {9},
  pages        = {2287--2294},
  publisher    = {Royal Society of Chemistry},
  title        = {{Influence of the catalyst surface chemistry on the electrochemical self-coupling of biomass-derived benzaldehyde into hydrobenzoin}},
  doi          = {10.1039/d4ya00334a},
  volume       = {3},
  year         = {2024},
}

@article{17897,
  abstract     = {High-entropy materials (HEMs) offer a quasi-continuous spectrum of active sites and have generated great expectations in fields such as electrocatalysis and energy storage. Despite their potential, the complex composition and associated surface phenomena of HEMs pose challenges to their rational design and development. In this context, we have synthesized FeCoNiPdWP high entropy phosphide (HEP) nanoparticles using a low-temperature colloidal method, and explored their application as bifunctional electrocatalysts for the oxygen evolution and reduction reactions (OER/ORR). Our analysis provides a detailed understanding of the individual roles and transformations of each element during OER/ORR operation. Notably, the HEPs exhibit an exceptionally low OER overpotential of 227 mV at 10 mA cm−2, attributed to the reconstructed HEP surface into a FeCoNiPdW high entropy oxyhydroxide with high oxidation states of Fe, Co, and Ni serving as the active sites. Additionally, Pd and W play crucial roles in modulating the electronic structure to optimize the adsorption energy of oxygen intermediates. For the ORR, Pd emerges as the most active component. In the reconstructed catalyst, the strong d–d orbital coupling of especially Pd, Co, and W fine-tunes ORR electron transfer pathways, delivering an ORR half-wave potential of 0.81 V with a pure four-electron reduction mechanism. The practicality of these HEPs catalysts is showcased through the assembly of aqueous zinc–air batteries. These batteries demonstrate a superior specific capacity of 886 mA h gZn−1 and maintain excellent stability over more than 700 hours of continuous operation. Overall, this study not only elucidates the role of each element in HEMs but also establishes a foundational framework for the design and development of next-generation bifunctional oxygen catalysts, broadening the potential applications of these complex materials in advanced energy systems.},
  author       = {He, Ren and Wang, Shiqi and Yang, Linlin and Horta, Sharona and Ding, Yang and Di, Chong and Zhang, Xuesong and Xu, Ying and Ibáñez, Maria and Zhou, Yingtang and Mebs, Stefan and Dau, Holger and Hausmann, Jan Niklas and Huo, Wenyi and Menezes, Prashanth W. and Cabot, Andreu},
  issn         = {1754-5706},
  journal      = {Energy and Environmental Science},
  number       = {19},
  pages        = {7193--7208},
  publisher    = {Royal Society of Chemistry},
  title        = {{Active site switching on high entropy phosphides as bifunctional oxygen electrocatalysts for rechargeable/robust Zn-air battery}},
  doi          = {10.1039/d4ee01912a},
  volume       = {17},
  year         = {2024},
}

@article{17125,
  abstract     = {We explore the potential of nanocrystals (a term used equivalently to nanoparticles) as building blocks for nanomaterials, and the current advances and open challenges for fundamental science developments and applications. Nanocrystal assemblies are inherently multiscale, and the generation of revolutionary material properties requires a precise understanding of the relationship between structure and function, the former being determined by classical effects and the latter often by quantum effects. With an emphasis on theory and computation, we discuss challenges that hamper current assembly strategies and to what extent nanocrystal assemblies represent thermodynamic equilibrium or kinetically trapped metastable states. We also examine dynamic effects and optimization of assembly protocols. Finally, we discuss promising material functions and examples of their realization with nanocrystal assemblies.},
  author       = {Bassani, Carlos L. and Van Anders, Greg and Banin, Uri and Baranov, Dmitry and Chen, Qian and Dijkstra, Marjolein and Dimitriyev, Michael S. and Efrati, Efi and Faraudo, Jordi and Gang, Oleg and Gaston, Nicola and Golestanian, Ramin and Guerrero-Garcia, G. Ivan and Gruenwald, Michael and Haji-Akbari, Amir and Ibáñez, Maria and Karg, Matthias and Kraus, Tobias and Lee, Byeongdu and Van Lehn, Reid C. and Macfarlane, Robert J. and Mognetti, Bortolo M. and Nikoubashman, Arash and Osat, Saeed and Prezhdo, Oleg V. and Rotskoff, Grant M. and Saiz, Leonor and Shi, An Chang and Skrabalak, Sara and Smalyukh, Ivan I. and Tagliazucchi, Mario and Talapin, Dmitri V. and Tkachenko, Alexei V. and Tretiak, Sergei and Vaknin, David and Widmer-Cooper, Asaph and Wong, Gerard C.L. and Ye, Xingchen and Zhou, Shan and Rabani, Eran and Engel, Michael and Travesset, Alex},
  issn         = {1936-086X},
  journal      = {ACS Nano},
  number       = {23},
  pages        = {14791--14840},
  publisher    = {American Chemical Society},
  title        = {{Nanocrystal assemblies: Current advances and open problems}},
  doi          = {10.1021/acsnano.3c10201},
  volume       = {18},
  year         = {2024},
}

@article{17896,
  abstract     = {Broadband photodetectors that can decipher the wavelength (λ) and intensity (I) of an unknown incident light are urgently demanded. Photothermoelectric (PTE) detectors can achieve ultrabroadband photodetection surpassing the bandgap limitation; however, their practical application is severely hampered by the lack of deciphering strategy. In this work, we report a variable elimination method to decipher λ and I of the incident lights based on an integrated Ag2Se film-based PTE detector. Nanostructured Ag2Se films with controlled thickness are synthesized using an ion sputtering of Ag and a room-temperature selenization method and then assembled into a detector. Under identical illumination, Ag2Se films of different thicknesses produce varying output photothermal voltages, influenced by factors including λ. By establishing a direct relationship between the photothermal voltage and the absorption of Ag2Se films of varied thickness, we successfully eliminate variables independent of λ, thus determining λ. Subsequently, I is determined by the calibrated responsivity relationship using obtained λ. Our PTE detector achieves a broadband spectrum from 400 to 950 nm and high accuracy, with deviations as low as ∼2.63 and ∼0.53% for deciphered λ and I, respectively. This method allows for self-powered broadband decipherable photodetection without a complex device architecture or computational assistance, which could boost the research enthusiasm and promote the commercialization of PTE broadband detectors.},
  author       = {Zhou, Jiamin and Xu, Shengduo and Shuai, Yi and Sun, Qiang and Ma, Huangshui and Wang, Chao and Wu, Haijuan and Tan, Shanshan and Wang, Zegao and Yang, Lei},
  issn         = {1944-8252},
  journal      = {ACS Applied Materials and Interfaces},
  number       = {36},
  pages        = {47923--47930},
  publisher    = {American Chemical Society},
  title        = {{Decipher the wavelength and intensity using photothermoelectric detectors}},
  doi          = {10.1021/acsami.4c10489},
  volume       = {16},
  year         = {2024},
}

@article{15348,
  abstract     = {We report on synthesis of highly crystalline polythiophene and its application in supercapacitor electrodes. The material exhibits a remarkably stable electrochemical behavior and an excellent device performance. The device delivers an electrode specific capacitance (Csp) of 129.13F g−1, Cell Csp of 32.28F g−1 at 0.5 A/g; energy, and power densities of ∼ 3 Wh kg−1 and 250 W kg -1, respectively at 0.5 A/g. Also, it exhibits an excellent retention of Cell Csp and coulombic efficiency up to ∼ 95 % over 10,000 continuous galvanostatic charge discharge (GCD) cycles indicating a remarkable performance by a standalone, pristine and undoped polythiophene. Electrochemical impedance spectroscopy (EIS) studies further suggest material’s stable capacitive behavior. The material’s enhanced electrochemical properties, stable behavior and outstanding performance in device application are attributed to the crystalline phases present in the polymer matrix achievable via a slow rate of synthesis; overall, an edge over other conventional synthesis methods.},
  author       = {Mahato, Neelima and Singh, Saurabh and Sreekanth, T. V.M. and Yoo, Kisoo and Kim, Jonghoon},
  issn         = {1873-4979},
  journal      = {Materials Letters},
  publisher    = {Elsevier},
  title        = {{In-situ engineered highly crystalline polythiophene empowered electrochemical capacitor-I: Synthesis, characterization, and electrochemical charge storage}},
  doi          = {10.1016/j.matlet.2024.136483},
  volume       = {365},
  year         = {2024},
}