ChemInform Abstract: Second Generation Graphene: Opportunities and Challenges for Surface Science

Ultra-high vacuum techniques in the study of single-crystal electrode surfaces

Ionic systems in materials research : new materials and processes based on ionic polymerizations and/or ionic liquids

In spite of the impressive progress of the fuel cells technology over the last few decades, we still need to address the critical challenge of designing low-cost Pt electrocatalysts with enhanced activity, and improved stability. Exploiting combination of nanoscale Pt structures with another metal, so called Pt-bimetallic nanosystems, has been the most promising route to make significant advances. The electrocatalytic studies on single crystal surfaces combined with the advanced surface science techniques have been essential for our current understanding of Pt reactivity. However, such studies on Pt-bimetallic nanosystems are challenging and not always possible. Utilization of a surface limited redox replacement method (SLRR) in the design of epitaxial Pt films and alloys provides a unique platform to create such model 2D systems. The SLRR approach allows deposition of Pt-nanostructures with the atomic level control of the structure, and coverage which can hardly be matched by any other method. In this article, we give a brief overview of the design of different model Pt-bimetallic systems along with a selection of systematic studies conducted on them that improved our current understanding of the links between the nanostructure and electrocatalytic behavior. Although we provide only an incomplete account of the work undertaken so far, our goal is to motivate the broader electrochemical community to learn more and to inspire new studies and applications.

All physical or chemical processes require appropriate intermolecular or interatomic interactions. In addition to the structure of the material used, the respective chemical properties of the surface also play here a significant role. Surface chemistry is an intriguing interdisciplinary field of study, with a focus on the examination of chemical processes that predominantly occur on the surface of solids. It involves the study of phenomena such as adsorption, migration, assembly, activation, reaction, and desorption of atoms and molecules on surfaces. In the context of bulk crystalline materials, atoms or molecules are arranged in a three-dimensional periodic table, thereby exhibiting similar properties. However, when these substances are positioned on the surface, the periodicity in the vertical direction is interrupted, which consequently leads to the manifestation of remarkable electronic, magnetic, optical, and chemical properties due to changes in the chemical environment. This phenomenon results in wide-ranging applications in the fields of materials, chemistry, physics, energy, etc. The central objective in this field is to comprehend the structures and properties of the surface of solids, and to ascertain the fundamental principles that govern the physical and chemical changes occurring on them. Surface chemistry is an interdisciplinary field that draws upon knowledge from various disciplines, including chemistry, physics, biology, mathematics, materials science and engineering. It serves as a crucial conduit between the core disciplines and the various areas of application. Surface chemistry has a pivotal role and exerts a substantial impact on materials science, catalysis, energy, and other. Over the past century, surface chemistry has undergone rapid development and achieved significant advances, with at least two Nobel prices: I. Langmuir, being awarded the in Chemistry in 1932 for his pioneering contributions to the proposal and study of surface chemistry. Also, G. Ertl, was awarded in Chemistry in 2007 for his groundbreaking research in solid surface chemistry. However, this field also harbours significant drawbacks, including the toxic nature of nanoplastics, which can arise from changes in surface chemistry due to an increase in hydrophilicity as a consequence of rise in surface acidity. Recent findings suggest that environmentally relevant nanoplastics are toxic even at very low concentrations, by increasing the proportion of the polar layer of nanoparticles formed during oxidation processes. In light of the pressing need for comprehensive research on nanoplastics, we have established a correlation between in vitro human cell toxicity and in vivo effects on a highly resistant organism, such as the American cockroach (Periplaneta americana), with the physicochemical properties of PE nanoplastics. It is our hope that the results presented herein will address the knowledge gap and facilitate further research on the effects of nanoplastics on animals and humans.

2025 International Conference on Surface Science Technology and Applications (ICSSTA 2025) Conference Announcement Hangzhou, China July 18- July 21, 2025 Conference Theme: Innovation in Surface Science and Technology and International Exchange and Cooperation Surface Science and Technology, as an interdisciplinary and comprehensive technology, mainly focuses on the study of various phenomena and processes occurring on the surface and interface at the atomic or molecular level. It has involved many basic and applied disciplines, including physics, chemistry, mathematics, material science, biology and engineering, and is one of the most active frontier disciplines in the world at present. It has now laid the foundation of technology development in modern industry. In order to bridge the gap between the basic science of surface and interface and the wide applications of surface technology, the 1 st International Conference on Surface Science Technology and Applications was held in 2023 in Chongqing, China. Following the successful ICSSTA 2023, the 2 nd International Conference on Surface Science Technology and Application” (ICSSTA 2025), jointly organized by Southwest Institute of Technology and Engineering, Beihang University, Harbin Institute of Technology, Zhejiang University and other leading Chinese research institutions, will be held in Hangzhou, China from July 18 to 21, 2025. Under the theme “Innovation in Surface Science and Technology and International Exchange and Cooperation”, the conference will feature plenary and keynote presentations by academicians from the Chinese Academy of Sciences, Chinese Academy of Engineering, European Academy of Sciences, and renowned international experts. This gathering will facilitate extensive and in-depth exchanges among scholars, industry leaders, and researchers worldwide, focusing on the latest scientific achievements and industrial developments in surface science technologies. Through interdisciplinary dialogues and strategic partnership building, the conference aims to propel the high-quality advancement of this critical discipline. List of Conference Organizers are available in this PDF.

Safety problems of high energy density and high-power Li-ion batteries (LIBs) associated with thermal runaway (TRA) have become a serious problem resulting in massive recalls by manufacturers, and at times even endangering the lives of the consumers. In general, the TRA consists of a battery’s rapid self-heating sourced from exothermic (electro-)chemical reactions and/or mechanical abuse. It is impossible to directly monitor the occurring events during the TRA in practical operating conditions (e.g., in cell phones or electric vehicles). However, the change in electrical parameters (pattern) during the TRA-like events could potentially indicate the existence of a failure, thus allowing to foresee the LIBs malfunction.In this contribution, we employ multi-physics modeling and machine learning (ML) to address this important TRA problem in LIBs. Specifically, we use ML techniques to learn and predict the likelihood of the TRA, using the data acquired from the multi-physics modeling of LIBs. The multi-physics modeling approach is comprised of a coupled thermal, electrochemical (P2D model) and degradation sub-models. In this work, a degradation phenomenon leading to the TRA is the solid electrolyte interface (SEI) formation/decomposition in the negative electrode. Subsequently, due to the time-varying characteristic of the variables affecting TRA (i.e, voltage, C-rate, state-of-charge, temperature, etc.), we propose three ML techniques, namely, Support Vector Machine, Deep Neural Network, and Recurrent Neural Network to be customized and applied for determining the TRA likelihood. For deep learning methods, we propose a new activation function, TK-MARS, based upon a partitioning based multivariate adaptive regression spline (MARS). Finally, to mitigate the uncertainty of the prediction results under different degradation conditions, we built an ensemble framework (i.e., a committee of single prediction models) incorporating the trained individual models, in order to maximize the robustness and generalization power of the prediction for a new unseen observation without prior knowledge on the degradation. Thus, the developed combined multi-physics and ML modeling approach establish a basis for accelerated or ‘on-the-fly’ prediction of the TRA as well as a framework for extending machine learning methodologies to broad applications in electrochemistry.

Core-shell structured Si@Cu nanoparticles segregated in graphene-carbon nanotube networks enable high reversible capacity and rate capability of anode for lithium-ion batteries

Chapter 1 - Nanotechnology to Nanomanufacturing

The scientific exploration of solid materials represents one of the most important, fascinating and rewarding areas of scientific endeavour in the present day, not only from the viewpoint of advancing fundamental understanding but also from the industrial perspective, given the immense diversity of applications of solid materials across the full range of commercial sectors. Turning Points in Solid-State, Materials and Surface Science provides a state-of-the-art survey of some of the most important recent developments across the spectrum of solid-state, materials and surface sciences, while at the same time reflecting on key turning points in the evolution of this scientific discipline and projecting into the directions for future research progress. The book serves as a timely tribute to the life and work of Professor Sir John Meurig Thomas FRS, who has made monumental contributions to this field of science throughout his distinguished 50-year career in research, during which he has initiated, developed and exploited many important branches of this field. Indeed, the depth and breadth of his contributions towards the evolution and advancement of this scientific discipline, and his critical role in elevating this field to the important position that it now occupies within modern science, are demonstrated recurrently throughout the chapters of this book. Individual chapters are contributed by internationally leading experts in their respective fields, and the topics covered include solid-state chemistry of inorganic and organic materials, heterogeneous catalysis, surface science and materials science, with one section of the book focusing on modern developments in electron microscopy and its contributions to chemistry and materials science. The book serves as a modern and up-to-date monograph in these fields, and provides a valuable resource to researchers in academia and industry who require a comprehensive source of information on this important and rapidly developing subject.

Lithium metal anode based rechargeable batteries (LMB) are regarded as the most viable alternative to replace state-of-the-art lithium ion batteries (LIB) as they can provide higher-energydensity energy storage. With this year’s Nobel Prize in Chemistry being awarded to Akira Yoshino,M. Stanley Whittingham, and John B. Goodenough for their contribution in developing LIBs, even more attention is now drawn to the development of LMBs. Due to the highly reactive nature of metallic lithium and the change with regard to cathode, electrolyte and anode design, the industrial success of LMB has yet to be achieved. Traditionally, in an LMB the role of polymeric componentsis mostly limited to the role of separators and cathode binders. However, with the continued development of polymer chemistry and its growing number of applications in materials science, it is now recognized that designing and applying functional polymers can greatly improve thepractical performance of an LMB. This thesis describes how various polymer materials could be synthesized and tailored for improving the cycling stability of LMBs. Chapter 1 will systematically discuss the state-of-the-art of various macromolecular approaches to improve each major component of an LMB, namely the electrolyte/separators, anode-electrolyte interface, anode, cathode-electrolyte interface and highenergy- density cathode materials including layered metal oxides and sulfur. Chapter 2 describes the development of two polymer electrolytes with high lithium transference number prepared byatom transfer radical polymerization (ATRP) and anionic ring opening polymerization (ROP). Chapter 3 describes the development of two polymer based artificial solid electrolyte interface (SEI) that can stabilize the lithium deposition on the anode surface during lithium plating. One of the examples uses an organic/inorganic hybrid material prepared by covalently grafting polymers from a solid metal oxide by surface-initiated ATRP. Another one uses a single-ion polymer discussed in Chapter 2. Chapter 4 discusses the development of a composite lithium metal anodethat exhibits flowable properties and is compatible with ceramic solid electrolytes. Chapter 5 discusses how polymeric materials could be used as reactive surfactants to tailor the morphology of lithium metal from plain foils to microparticles and nanoflakes. Finally, a summary with outlook on future directions is provided.

The most advanced materials are those found in nature. These evolutionary optimized substances provide highest efficiencies, e.g., in harvesting solar energy or providing extreme stability, and are intrinsically biocompatible. However, the mimicry of biological materials is limited to a few successful applications since there is still a lack of the tools to recreate natural materials. Herein, such means are provided based on a peptide library derived from the silaffin protein R5 that enables rational biomimetic materials design. It is now evident that biomaterials do not form via mechanisms observed in vitro. Instead, the material's function and morphology are predetermined by precursors that self-assemble in solution, often from a combination of protein and salts. These assemblies act as templates for biomaterials. The RRIL peptides used here are a small part of the silica-precipitation machinery in diatoms. By connecting RRIL motifs via varying central bi- or trifunctional residues, a library of stereoisomers is generated, which allows characterization of different template structures in the presence of phosphate ions by combining residue-resolved real-time NMR spectroscopy and molecular dynamics (MD) simulations. Understanding these templates in atomistic detail, the morphology of silica particles is controlled via manipulation of the template precursors.

Surface coordination chemistry of graphene: Understanding the coordination of single transition metal atoms

Lithium ion batteries have been investigated extensively due to their widespread applications in portable electronic devices and electrical/hybrid vehicles. However, significant challenges still exist for an extended calendar life at a wide temperature range. Due to the intrinsic drawbacks of the commonly used LiPF6-carbonate electrolyte systems, such as insufficient thermal stability at elevated temperature and unavoidable HF contaminants, much effort has been paid to exploring novel additives. It is well known that the introduction of additives into electrolyte systems is one of the most effective and economic approaches to improve performance of lithium ion batteries. In this dissertation, a novel class of borate compounds has been successfully synthesized and screened as additives for electrolyte of lithium ion battery. Nuclear magnetic resonance (NMR) spectroscopy was utilized to characterize compounds by dissolving additives into deuterated solvents. The cycling performance of these novel additives and other commercialized additives was compared by adding them into 1M LiPF6 EC/EMC electrolyte, LiNi0.5Mn1.5O4/Graphite cells are cycled under both room temperature and elevated temperature up to 4.8V. Electrochemical impedance spectroscopy (EIS) and Linear sweep voltammetry (LSV) were used to investigate electrochemical activity of additives. The investigation of the interrelationship of cycling performance, additive structure, and electrode surface film structure has been conducted by scanning electron microscopy (SEM), transmission electron microscopy (TEM), X-ray photoelectron spectroscopy (XPS) and FT-IR instruments. SEM and TEM images showed that novel additives can form uniform solid electrolyte interface (SEI) and cathode solid electrolyte interface (CEI). XPS and FT-IR spectra were acquired to analyze main components of SEI and CEI, and they are beneficial for further understanding how addition of additives changed surface chemistry of electrodes. The surface reactions of both additives and electrolytes with the graphitic anode and lithium nickel manganese oxide cathode of lithium ion batteries have been speculated. New additives can not only form more uniform SEI on surface of anode, but also beneficial for forming uniform CEI on surface of cathode.

Fuel aided synthesis of NiO flakes for electrochemical energy storage application

Solid-state lithium-metal (Li0) batteries are gaining traction for electric vehicle applications because they replace flammable liquid electrolytes with a safer, solid-form electrolyte that also offers higher energy density and better resistance against Li dendrite formation. Solid polymer electrolytes (SPEs) are highly promising candidates because of their tuneable mechanical properties and easy manufacturability; however, their electrochemical instability against lithium-metal (Li0), mediocre conductivity and poorly understood Li0/SPE interphases have prevented extensive application in real batteries. In particular, the origin of the low Coulombic efficiency (CE) associated with SPEs remains elusive, as the debate continues as to whether it originates from unfavoured interfacial reactions or lithium dendritic growth and dead lithium formation. In this work, we use state-of-the-art cryo-EM imaging and spectroscopic techniques to characterize the structure and chemistry of the interface between Li0 and a polyacrylate-based SPE. Contradicting the conventional knowledge, we find that no protective interphase forms, owing to the sustained reactions between deposited Li dendrites and polyacrylic backbones and succinonitrile plasticizer. Due to the reaction-induced volume change, large amounts of cracks form inside the Li dendrites with a stress-corrosion-cracking behaviour, indicating that Li0 cannot be passivated in this SPE system. On the basis of this observation, we then introduce additive engineering, leveraging from knowledge of liquid electrolytes, and demonstrate that the Li0 surface can be effectively protected against corrosion using fluoroethylene carbonate, leading to densely packed Li0 domes with conformal and stable solid-electrolyte interphase films. Owing to the high room-temperature ionic conductivity of 1.01 mS cm-1, the high transference number of 0.57 and the stabilized lithium-electrolyte interface, this improved SPE delivers an excellent lithium plating/stripping CE of 99% and 1,800 hours of stable cycling in Li||Li symmetric cells (0.2 mA cm-2, 1 mAh cm-2). This improved cathodic stability, along with the high anodic stability, enables a record high cycle life of >2,000 cycles for Li||LiFePO4 and >400 cycles for Li||LiCoO2 full cells.